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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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414167 135087123 1 NOSH9C10 ABCD9E10 32.75 2.02 -9.16 -0.89 1
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414168 135087124 1 BOPC8H11 ABCD8E11 82.95 5.07 0.0 0.0 0
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414169 135087125 1 NO4C11H17 AB4C11D17 -164.82 3.36 -10.27 0.66 0
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414170 135087126 1 LiOC12H15 ABC12D15 -41.38 4.04 -8.86 0.54 0
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414171 135087127 1 LiSiO2C11H25 ABC2D11E25 -193.03 4.36 -8.72 1.08 0
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414172 135087128 2 N2H6C7 A2B6C7 119.78 3.93 -9.1 -1.21 0
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414173 135087129 1 SN2O4C18H20 AB2C4D18E20 -109.11 7.56 -9.33 -0.78 0
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414174 135087130 1 N4O5C14H26 A4B5C14D26 -153.0 6.57 -9.59 -0.25 0
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414175 135087131 1 NO2C14H19 AB2C14D19 -36.53 2.53 -8.94 0.09 0
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414176 135087132 1 NO2C14H17 AB2C14D17 -26.43 3.17 -8.87 0.09 0
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414177 135087133 1 NSO4C15H17 ABC4D15E17 -81.56 3.88 -9.68 -0.81 0
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414178 135087134 1 SiO2C12H20 AB2C12D20 -134.21 3.5 -8.4 0.35 -1
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414179 135087135 1 PN5O7C10H13 AB5C7D10E13 -268.07 7.63 0.0 0.0 0
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414180 135087136 1 N3H13C14 A3B13C14 85.55 2.9 -8.46 -0.92 0
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414181 135087137 1 NSO3C11H15 ABC3D11E15 -87.75 5.53 -9.6 -0.38 0
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414182 135087138 1 NO2H9C14 AB2C9D14 32.22 2.16 -9.82 -1.36 0
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414183 135087139 1 OF4H10C16 AB4C10D16 -177.72 2.43 -9.96 -1.09 0
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414184 135087140 1 SN2O3C14H16 AB2C3D14E16 -59.7 3.91 -8.79 -0.85 0
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414185 135087141 1 O2C17H20 A2B17C20 -62.47 3.18 -8.45 0.21 0
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414187 135087143 1 SO2C17H22 AB2C17D22 -47.56 2.02 -8.97 -0.48 0
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414188 135087144 1 NSC19H21 ABC19D21 67.3 1.94 -8.84 -0.5 0
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414189 135087145 1 NSiO4C20H21 ABC4D20E21 -48.27 7.56 -9.82 -1.29 0
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414190 135087146 1 O6C15H20 A6B15C20 -199.19 4.08 -10.3 0.0 0
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414191 135087147 1 ClSiO2C20H21 ABC2D20E21 -53.26 3.37 -9.37 -0.18 0
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414192 135087148 2 OC7H8 AB7C8 -42.06 2.08 -9.57 0.19 0
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414193 135087149 1 NF3O3C19H22 AB3C3D19E22 -282.76 1.53 -10.12 -0.76 0
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414194 135087150 1 NO4C16H21 AB4C16D21 -151.39 2.56 -9.12 -0.51 0
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414195 135087151 1 NO2C15H21 AB2C15D21 -62.47 2.87 -9.48 -0.14 0
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414196 135087152 1 BO3C21H31 AB3C21D31 -201.74 3.02 -8.36 0.59 0
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414197 135087153 1 BO2F3C21H28 AB2C3D21E28 -326.54 4.87 -9.65 -0.13 1
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414198 135087154 1 FNH9C10 ABC9D10 -9.74 2.83 0.0 0.0 0
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414199 135087155 1 N2O2C13H14 A2B2C13D14 -10.87 1.47 -8.98 -0.7 0
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414200 135087156 1 NOH17C18 ABC17D18 23.88 4.1 -9.41 0.06 0
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414201 135087157 1 PCl2O3C16H17 AB2C3D16E17 -166.87 4.55 -9.38 -0.5 0
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414202 135087158 1 ClF3O3H10C13 AB3C3D10E13 -257.71 3.57 -10.09 -1.43 0
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414203 135087159 1 NSiO5C19H33 ABC5D19E33 -147.25 2.49 -8.88 -0.55 0
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414204 135087160 1 BrNSiO4C22H34 ABCD4E22F34 -240.17 3.81 -8.78 -1.01 0
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414207 135087163 1 FNO2H14C16 ABC2D14E16 -64.35 3.65 -9.64 -0.45 1
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414208 135087164 1 BrNH11C13 ABC11D13 54.65 1.85 0.0 0.0 1
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414209 135087165 1 NC14H14 AB14C14 48.51 2.22 0.0 0.0 0
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414210 135087166 1 O5C12H14 A5B12C14 -166.2 2.17 -9.14 -0.47 0
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414211 135087167 1 SO3C18H20 AB3C18D20 -88.07 3.5 -9.69 -0.53 0
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414212 135087168 1 OS2C13H14 AB2C13D14 -0.25 3.74 -8.3 -0.77 0
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414213 135087169 1 NO3S3H17C18 AB3C3D17E18 -34.86 4.89 -8.33 -1.01 0
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414214 135087170 1 OSC18H18 ABC18D18 49.79 5.12 -8.21 -0.09 0
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414215 135087171 1 OC15H26 AB15C26 -66.77 2.52 -9.29 1.13 1
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414216 135087172 1 F3N4H10C13 A3B4C10D13 -30.36 4.73 0.0 0.0 0
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414217 135087173 1 ClNO2H12C17 ABC2D12E17 -19.12 2.58 -9.09 -1.06 0
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414218 135087174 1 SN3O4H17C18 AB3C4D17E18 -55.16 8.48 -8.94 -1.19 0
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414219 135087175 1 N2O5C20H20 A2B5C20D20 -127.97 3.61 -8.16 -1.0 0
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414220 135087176 1 N2O4H18C19 A2B4C18D19 -93.37 1.83 -8.09 -0.88 0
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414221 135087177 1 ClN2O2C17H21 AB2C2D17E21 -88.99 3.99 -8.39 -0.25 0
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414222 135087178 1 N3O4C13H13 A3B4C13D13 7.06 8.13 -9.01 -1.6 0
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414223 135087179 1 N2O3C14H16 A2B3C14D16 -5.75 3.13 -8.71 -1.51 0
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414224 135087180 1 ON2C23H24 AB2C23D24 72.5 3.09 -8.16 -0.74 0
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414225 135087181 2 NH13C14 AB13C14 140.53 2.51 -8.1 -0.64 0
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414226 135087182 1 ON2H18C20 AB2C18D20 82.79 2.84 -8.56 -0.35 0
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414227 135087183 1 BrNOH10C15 ABCD10E15 37.94 1.72 -8.89 -1.02 1
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414228 135087184 1 ClN4H10C12 AB4C10D12 123.29 2.32 0.0 0.0 1
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414229 135087185 1 F3N4H10C13 A3B4C10D13 -29.97 1.35 0.0 0.0 1
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414230 135087186 1 N4C13H13 A4B13C13 122.23 4.6 0.0 0.0 0
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414231 135087187 1 N2O2C15H16 A2B2C15D16 -26.09 2.59 -8.22 -0.57 0
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414232 135087188 1 SO2N4H16C17 AB2C4D16E17 33.75 3.21 -8.56 -0.71 0
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414233 135087189 1 N2O2F5H13C19 A2B2C5D13E19 -199.85 3.4 -8.54 -1.75 0
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414234 135087190 1 NOS2C11H11 ABC2D11E11 -8.75 1.21 -8.75 -0.65 0
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414235 135087191 1 ClO2S2N4H23C24 AB2C2D4E23F24 6.65 5.57 -8.63 -0.99 1
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414236 135087192 1 ClO2S2N4C24H24 AB2C2D4E24F24 13.77 4.89 0.0 0.0 0
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414237 135087193 1 O5C11H12 A5B11C12 -203.61 3.88 -9.55 -0.62 0
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414238 135087194 1 O2C5H10 A2B5C10 -102.25 2.72 -9.8 2.02 0
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414239 135087195 2 O2S3N4C60H89 A2B3C4D60E89 -189.7 1.98 -8.44 -1.91 0
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414240 135087196 2 O2S3N4C60H89 A2B3C4D60E89 -179.35 2.6 -8.29 -2.0 0
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414241 135087197 1 SF2O4N7C25H29 AB2C4D7E25F29 -143.92 7.76 -8.27 -0.66 0
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414242 135087198 1 OF2N7C18H21 AB2C7D18E21 -26.11 0.49 -8.3 0.0 0
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414243 135087199 1 N2S2O3C14H22 A2B2C3D14E22 -43.53 4.0 -8.69 -0.48 0
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414244 135087200 1 ClON6C14H19 ABC6D14E19 -1.24 4.08 -8.64 0.0 0