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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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433150 135173287 1 OC14H18 AB14C18 -30.9 1.35 -9.23 0.3 0
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433151 135173288 1 SN2F3O5C22H25 AB2C3D5E22F25 -303.88 7.45 -9.25 -0.6 0
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433152 135173289 1 SN2O3C20H24 AB2C3D20E24 -50.7 4.68 -9.07 -0.34 -1
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433153 135173290 1 SN2O5C20H23 AB2C5D20E23 -73.49 9.61 0.0 0.0 0
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433154 135173291 1 SN2O5C20H24 AB2C5D20E24 -138.85 9.65 -8.62 -0.69 0
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433155 135173292 1 NC14H21 AB14C21 1.21 2.23 -8.6 0.59 0
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433156 135173293 1 ON2C11H14 AB2C11D14 -3.05 3.34 -8.69 0.43 0
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433157 135173294 2 ClN3H7C8 AB3C7D8 112.37 4.13 -9.25 -1.17 0
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433158 135173295 1 ON2F3C11H11 AB2C3D11E11 -158.82 4.28 -9.61 -0.5 0
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433159 135173296 1 O3N5C21H23 A3B5C21D23 -47.53 7.73 -8.63 -0.65 0
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433160 135173297 1 IOC18H37 ABC18D37 -102.16 1.71 -9.28 -2.31 0
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433161 135173298 1 NOC43H81 ABC43D81 -200.33 3.29 -9.06 0.51 0
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433162 135173299 1 FC10H19 AB10C19 -95.42 2.05 -10.6 3.21 0
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433163 135173300 2 O4C11H19 A4B11C19 -388.84 3.02 -9.57 0.32 0
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433164 135173301 1 ClNS2O3C15H16 ABC2D3E15F16 -84.61 3.92 -9.68 -0.9 0
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433165 135173302 1 N2C23H42 A2B23C42 -62.93 2.51 -8.86 0.44 0
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433166 135173303 1 NC23H49 AB23C49 -87.52 1.64 -8.48 3.23 0
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433167 135173304 1 NS2O5C18H27 AB2C5D18E27 -186.04 9.53 -9.26 -0.65 0
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433168 135173305 1 NSO4C16H23 ABC4D16E23 -173.53 8.5 -9.25 -0.75 0
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433169 135173306 1 NSO4C17H25 ABC4D17E25 -178.77 5.84 -9.22 -0.7 0
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433170 135173307 1 ClNO3C14H18 ABC3D14E18 -143.5 4.67 -9.89 -0.55 0
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433171 135173308 1 N9O16C72H83 A9B16C72D83 -545.91 5.44 -8.54 -1.69 0
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433172 135173309 1 INOC28H50 ABCD28E50 -113.45 2.26 -8.44 -0.65 0
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433173 135173310 1 ON5C25H27 AB5C25D27 84.78 4.93 -8.5 -0.55 0
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433174 135173311 1 NO3C12H19 AB3C12D19 -138.85 2.82 -9.48 0.88 0
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433175 135173312 1 NSO2C17H23 ABC2D17E23 -58.41 5.85 -8.45 -0.53 0
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433176 135173313 1 O3N5H23C24 A3B5C23D24 -9.1 2.94 -8.8 -0.75 0
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433177 135173314 1 SN2O3C23H24 AB2C3D23E24 -18.69 3.67 -8.29 -0.45 0
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433178 135173315 1 ClOSN2C12H15 ABCD2E12F15 -17.38 3.24 -8.59 -0.24 0
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433179 135173316 1 ClSO2C10H11 ABC2D10E11 -51.54 6.88 -10.33 -0.87 0
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433180 135173317 1 ClNOSC9H12 ABCDE9F12 -7.93 2.47 -8.7 -0.76 0
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433181 135173318 1 ClNSO2C7H12 ABCD2E7F12 -90.06 6.15 -9.71 -0.19 0
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433182 135173319 1 NS2O5C10H19 AB2C5D10E19 -208.96 4.34 -9.47 0.06 0
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433183 135173320 1 NS2O5C9H19 AB2C5D9E19 -233.67 2.23 -9.61 0.12 0
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433184 135173321 1 FNS2O5C16H24 ABC2D5E16F24 -264.49 4.68 -9.74 -0.66 0
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433185 135173322 1 NS2O5C10H21 AB2C5D10E21 -240.1 2.28 -9.57 0.11 0
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433186 135173323 1 SO3N7C19H23 AB3C7D19E23 -26.21 2.78 -8.7 -0.63 0
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433187 135173324 1 OS2C13H18 AB2C13D18 -26.11 2.85 -8.24 -0.6 0
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433188 135173325 1 N2O4C25H30 A2B4C25D30 -104.11 3.84 -9.19 -0.38 0
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433189 135173326 1 N2O4C25H30 A2B4C25D30 -102.86 4.34 -9.25 -0.43 0
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433190 135173327 1 NC23H27 AB23C27 79.36 1.29 -8.61 0.18 0
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433191 135173328 1 SN2O4C10H20 AB2C4D10E20 -184.53 4.93 -9.2 0.05 0
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433192 135173329 1 SN2O4C9H18 AB2C4D9E18 -178.79 3.75 -9.33 0.03 0
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433193 135173330 1 ClNSO4H20C22 ABCD4E20F22 -61.28 4.98 -8.4 -0.7 0
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433194 135173331 1 NSO3C15H15 ABC3D15E15 -57.91 4.02 -8.78 -0.65 0
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433195 135173332 1 N2O3C20H22 A2B3C20D22 -36.37 5.29 -9.15 -0.36 0
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433196 135173333 1 BrSO3C10H13 ABC3D10E13 -103.96 5.26 -10.01 -1.18 0
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433197 135173334 1 ClSN2O3C21H25 ABC2D3E21F25 -65.66 4.81 -8.57 -0.42 0
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433198 135173335 1 ClNF2C10H10 ABC2D10E10 -78.27 1.48 -8.84 -0.3 0
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433199 135173336 1 ClN3C9H10 AB3C9D10 66.72 1.77 -9.26 -0.6 0