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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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38153 8027446 1 NSO2C9H13 ABC2D9E13 -71.22 2.38 -8.87 -0.17 0
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38154 8027457 1 NO4H17C18 AB4C17D18 -119.25 8.09 -9.12 -1.17 0
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38155 8027464 2 NOH11C12 ABC11D12 8.42 3.2 -9.2 -1.28 0
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38156 8027483 1 BrN2O2C16H21 AB2C2D16E21 -93.0 4.97 -8.64 -0.31 0
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38157 8027484 1 IN2O2C16H21 AB2C2D16E21 -79.59 4.92 -8.65 -0.68 -1
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38158 8027536 1 NO4H10C12 AB4C10D12 -87.35 4.39 0.0 0.0 -1
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38159 8027540 1 NO4H12C13 AB4C12D13 -98.25 4.93 0.0 0.0 0
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38160 8027541 1 NO4C13H13 AB4C13D13 -91.77 4.5 -9.04 -1.1 1
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38161 8027560 1 NO2C11H18 AB2C11D18 -72.14 3.99 0.0 0.0 0
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38162 8027561 1 NO2C11H17 AB2C11D17 -83.18 4.74 -8.88 0.04 1
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38163 8027566 1 NO2C13H22 AB2C13D22 -68.09 2.91 0.0 0.0 0
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38164 8027567 1 NO2C13H21 AB2C13D21 -87.72 3.36 -8.83 0.11 1
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38165 8027574 1 NO2C10H16 AB2C10D16 -53.24 3.39 0.0 0.0 -1
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38166 8027588 1 NO5H12C13 AB5C12D13 -128.74 4.94 0.0 0.0 0
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38167 8027630 1 ClNO3H20C22 ABC3D20E22 -77.16 2.63 -8.94 -1.03 0
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38168 8027639 1 F2N2O2S2H10C11 A2B2C2D2E10F11 -125.23 2.4 -9.72 -0.86 0
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38169 8027642 1 ClN2S2O4C16H19 AB2C2D4E16F19 -136.87 8.31 -9.16 -0.72 1
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38170 8027645 1 O3N5C17H24 A3B5C17D24 3.02 11.27 0.0 0.0 0
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38171 8027671 1 BrSN2O4H11C14 ABC2D4E11F14 -63.02 1.78 -9.11 -1.34 0
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38172 8027689 2 NSO2H5C6 ABC2D5E6 -62.99 1.73 -9.09 -1.47 0
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38173 8027691 1 N2S2O6C17H20 A2B2C6D17E20 -217.1 6.75 -9.11 -1.11 -1
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38174 8027714 1 N3O4C22H28 A3B4C22D28 -157.23 2.51 0.0 0.0 0
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38175 8027754 1 N3O4C18H19 A3B4C18D19 -99.32 5.8 -9.37 -1.26 0
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38176 8027790 1 N2O4C23H32 A2B4C23D32 -190.44 5.33 -9.1 -0.82 1
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38177 8027791 1 N2O5C20H27 A2B5C20D27 -163.55 2.97 0.0 0.0 0
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38178 8027800 1 SN3O4C21H27 AB3C4D21E27 -159.07 3.22 -9.1 -0.92 0
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38179 8027830 1 S2N3O3C15H15 A2B3C3D15E15 -55.6 2.08 -9.53 -1.0 0
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38180 8027845 1 NO2C13H17 AB2C13D17 -75.39 6.18 -9.4 0.1 0
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38181 8027846 1 SN3O4C21H27 AB3C4D21E27 -164.22 1.73 -9.05 -0.87 0
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38182 8027862 1 NO5C25H27 AB5C25D27 -178.18 3.53 -9.03 -0.84 0
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38183 8027876 1 N4O4C23H28 A4B4C23D28 -131.09 1.53 -8.36 -0.27 0
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38184 8027897 1 NO5C22H23 AB5C22D23 -165.53 4.9 -9.36 -0.98 0
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38185 8027901 1 N2O5C23H26 A2B5C23D26 -165.01 2.04 -8.83 -1.06 0
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38186 8027920 1 Cl2S2N3O3H11C14 A2B2C3D3E11F14 -64.73 3.83 -9.7 -1.35 0
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38187 8027924 1 ClN3O4H18C19 AB3C4D18E19 -135.55 8.84 -8.35 -1.17 0
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38188 8027927 1 ClO2N5H14C18 AB2C5D14E18 39.95 6.77 -9.35 -1.84 0
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38189 8027932 1 FN2S2O6C15H15 AB2C2D6E15F15 -251.74 6.27 -9.48 -1.31 0
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38190 8027942 1 N2S2O6C15H16 A2B2C6D15E16 -203.87 3.65 -9.36 -1.22 -1
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38191 8027943 1 N2S2O6C15H15 A2B2C6D15E15 -179.14 5.26 0.0 0.0 0
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38192 8027944 1 N2S2O6C15H16 A2B2C6D15E16 -200.7 4.26 -9.3 -1.41 -1
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38193 8027945 1 N2S2O6C15H15 A2B2C6D15E15 -148.46 5.59 0.0 0.0 0
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38194 8027946 1 N2S2O6C15H16 A2B2C6D15E16 -203.19 2.62 -9.34 -1.18 -1
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38195 8027947 1 N2S2O6C15H15 A2B2C6D15E15 -170.4 3.86 0.0 0.0 1
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38196 8027949 1 ClN2O5C21H28 AB2C5D21E28 -171.91 6.36 0.0 0.0 1
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38197 8027950 1 N2O5C22H29 A2B5C22D29 -163.49 7.09 0.0 0.0 1
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38198 8027951 1 ClN2O5C21H26 AB2C5D21E26 -161.34 5.21 0.0 0.0 1
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38199 8027953 1 ClN2O5C19H24 AB2C5D19E24 -176.79 10.67 0.0 0.0 0
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38200 8027955 1 SN3O3C20H25 AB3C3D20E25 -117.17 1.88 -9.19 -0.95 0
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38201 8027960 1 O2F3N4H15C18 A2B3C4D15E18 -156.86 8.5 -9.48 -1.65 1
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38202 8027962 1 N2O5C22H31 A2B5C22D31 -179.15 5.15 0.0 0.0 1
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38203 8027964 1 N2O5C22H31 A2B5C22D31 -177.83 4.29 0.0 0.0 1
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38204 8027966 1 N2O4C24H35 A2B4C24D35 -149.68 26.11 0.0 0.0 1
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38205 8027967 1 N2O5C21H27 A2B5C21D27 -163.8 8.14 0.0 0.0 1
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38206 8027968 1 N2O5C22H31 A2B5C22D31 -172.03 3.0 0.0 0.0 0
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38207 8027979 1 O2N3C23H29 A2B3C23D29 -78.74 4.19 -8.24 0.15 1
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38208 8028002 1 SO2N3C23H30 AB2C3D23E30 -42.21 5.09 0.0 0.0 0
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38209 8028013 1 ClNO5C17H20 ABC5D17E20 -203.04 3.01 -8.91 -0.9 1
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38210 8028015 1 N2O4C25H29 A2B4C25D29 -101.56 23.26 0.0 0.0 0
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38211 8028054 1 NO5C21H21 AB5C21D21 -163.17 5.93 -9.17 -0.93 0
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38212 8028057 1 N2S2O5C17H20 A2B2C5D17E20 -159.2 5.67 -9.22 -0.68 1
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38213 8028062 1 ClN2O5C19H24 AB2C5D19E24 -172.82 18.87 0.0 0.0 0
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38214 8028079 1 NO5C22H23 AB5C22D23 -166.13 3.42 -9.46 -1.14 0
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38215 8028084 1 FO2N5H14C18 AB2C5D14E18 7.46 10.06 -9.3 -1.72 0
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38216 8028107 1 FN2S2O3C19H23 AB2C2D3E19F23 -156.11 4.95 -9.22 -0.93 0
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38217 8028108 1 SN3O3C22H29 AB3C3D22E29 -125.54 2.61 -9.12 -0.89 1
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38218 8028121 1 N3O4C19H20 A3B4C19D20 -85.57 5.04 0.0 0.0 0
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38219 8028140 1 SN3O4C11H15 AB3C4D11E15 -125.6 2.55 -9.3 -0.29 0
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38220 8028152 1 FNPO3C16H19 ABCD3E16F19 -186.07 2.99 -9.3 -0.13 0
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38221 8028154 1 SN2O2C12H16 AB2C2D12E16 -48.19 5.92 -8.41 -0.16 -1
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38222 8028161 1 SN3O4C11H12 AB3C4D11E12 -69.14 7.74 0.0 0.0 0
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38223 8028180 1 NSO4C22H23 ABC4D22E23 -86.49 3.3 -8.84 -0.76 0
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38224 8028187 1 NSO6H17C18 ABC6D17E18 -189.19 4.61 -9.3 -1.02 0
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38225 8028190 1 N2S2O3C12H12 A2B2C3D12E12 -69.81 4.96 -9.41 -1.39 0
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38226 8028199 1 NO5H19C20 AB5C19D20 -152.79 6.0 -9.46 -1.2 1
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38227 8028205 1 N2O4C25H35 A2B4C25D35 -154.85 17.01 0.0 0.0 -1
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38228 8028207 1 ClSN2O4C11H14 ABC2D4E11F14 -120.65 8.95 0.0 0.0 0
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38229 8028324 1 O3N4C15H18 A3B4C15D18 -21.64 8.28 -8.53 -1.36 0
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38230 8028336 1 FO2N4H15C18 AB2C4D15E18 -54.98 11.89 -8.54 -1.12 0
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38231 8028338 1 N2O4C23H26 A2B4C23D26 -132.15 3.21 -9.55 -0.93 0
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38232 8028340 1 SO3N4C16H22 AB3C4D16E22 -57.19 7.06 -8.98 -1.04 1
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38233 8028353 1 N2O5C20H27 A2B5C20D27 -180.84 9.42 0.0 0.0 0
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38234 8028362 1 ClNO5H20C21 ABC5D20E21 -171.16 6.14 -9.29 -1.2 0
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38235 8028365 1 ClNO5H20C21 ABC5D20E21 -171.29 6.23 -9.22 -1.13 0
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38236 8028370 1 N3O3C22H25 A3B3C22D25 -86.33 5.89 -8.5 0.09 -1
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38237 8028372 1 NSO6H18C20 ABC6D18E20 -135.64 1.85 0.0 0.0 0
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38238 8028375 1 ClSO3N4H13C14 ABC3D4E13F14 -16.9 4.79 -9.25 -1.43 0
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38239 8028378 1 SN3O3C9H11 AB3C3D9E11 -58.97 7.51 -8.96 -0.64 1
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38240 8028381 1 N2O4C24H35 A2B4C24D35 -145.62 33.66 0.0 0.0 1
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38241 8028386 1 N2O4C21H31 A2B4C21D31 -143.78 6.1 0.0 0.0 0
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38242 8028389 1 O3N4C14H14 A3B4C14D14 -10.4 8.87 -10.09 -0.92 0
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38243 8028414 1 N2O4C25H34 A2B4C25D34 -186.27 3.0 -9.02 -0.82 0
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38244 8028432 1 O3N4H16C17 A3B4C16D17 -78.1 6.55 -9.05 -1.23 0
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38245 8028451 1 Cl2S2N3O3H11C14 A2B2C3D3E11F14 -61.75 4.19 -9.68 -1.31 0
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38246 8028452 1 Cl2S2N3O3H11C14 A2B2C3D3E11F14 -62.17 4.11 -9.71 -1.3 0
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38247 8028465 1 ClS2N3O3H14C15 AB2C3D3E14F15 -65.56 7.6 -9.55 -1.06 0
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38248 8028473 1 Cl2S2N3O3H11C14 A2B2C3D3E11F14 -65.13 4.74 -9.69 -1.33 -1
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38249 8028474 1 NSO6H14C18 ABC6D14E18 -104.51 8.55 0.0 0.0 0
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38250 8028482 1 ClNO5H18C20 ABC5D18E20 -175.52 2.56 -9.41 -1.47 0
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38251 8028483 1 ClNO5H18C20 ABC5D18E20 -177.03 1.46 -9.29 -1.27 0
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38252 8028488 1 NO5C24H27 AB5C24D27 -179.73 5.17 -9.59 -0.89 0