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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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49185 11528827 1 ClSN2C11H11 ABC2D11E11 48.55 4.14 -8.56 -0.64 0
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49186 11528829 1 CoSN2O3C5H12 ABC2D3E5F12 -74.58 26.18 0.0 0.0 0
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49187 11528832 1 FNOH10C15 ABCD10E15 0.13 2.92 -9.34 -0.46 0
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49188 11528843 1 N2O3H8C13 A2B3C8D13 -30.39 6.04 -9.86 -1.65 0
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49189 11528845 3 OH4C5 AB4C5 -60.21 1.38 -9.75 -1.36 0
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49190 11528847 1 O3C14H24 A3B14C24 -155.07 2.86 -9.57 0.72 0
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49191 11528880 1 NO2C15H19 AB2C15D19 -37.36 4.56 -9.34 0.63 0
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49192 11528896 1 SO3H12C13 AB3C12D13 -51.49 5.9 -9.62 -0.96 0
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49193 11528897 1 O5C12H24 A5B12C24 -201.48 4.7 -9.78 1.51 0
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49194 11528898 1 O3C15H20 A3B15C20 -108.88 5.53 -9.52 -0.3 0
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49195 11528899 1 O3C15H20 A3B15C20 -139.58 2.83 -9.2 0.36 0
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49196 11528900 1 O3C15H20 A3B15C20 -112.13 4.4 -9.72 -0.26 0
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49197 11528901 1 O3C15H20 A3B15C20 -126.54 1.76 -9.78 -0.07 0
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49198 11528902 1 SO2C14H16 AB2C14D16 -69.68 1.28 -8.94 -0.38 0
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49199 11528903 2 OC8H12 AB8C12 -100.6 1.47 -8.74 1.62 0
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49200 11528904 2 NSC6H6 ABC6D6 68.77 4.9 -8.56 -1.07 0
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49201 11528905 1 N3O4C11H11 A3B4C11D11 -38.66 5.72 -9.45 -1.58 0
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49202 11528906 1 FNO3H12C13 ABC3D12E13 -130.06 6.64 -9.68 -1.52 0
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49203 11528907 1 SF2O2N3C8H9 AB2C2D3E8F9 -139.61 3.6 -9.62 -1.08 0
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49204 11528908 1 NO4C13H15 AB4C13D15 -140.38 3.93 -9.39 -0.69 0
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49205 11528909 1 NO4C13H15 AB4C13D15 -84.12 5.79 -10.21 -1.45 0
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49206 11528950 3 OC5H8 AB5C8 -138.03 5.07 -9.55 0.54 0
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49207 11528955 1 ClON2C13H17 ABC2D13E17 -40.27 3.5 -9.46 -0.3 0
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49208 11528958 1 SO2N3C11H15 AB2C3D11E15 -61.62 6.1 -8.79 -0.72 1
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49209 11528961 1 ON2C15H29 AB2C15D29 -29.03 1.37 0.0 0.0 0
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49210 11528962 1 NSiC16H19 ABC16D19 32.84 2.0 -9.04 -0.02 0
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49211 11528963 1 O4H10C15 A4B10C15 -94.29 5.07 -9.18 -1.01 0
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49212 11528964 1 NaSN2O4C8H11 ABC2D4E8F11 -186.6 13.49 -7.74 -0.27 0
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49213 11528971 1 BrO2C11H11 AB2C11D11 -54.61 4.38 -10.24 -0.75 0
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49214 11531936 1 BrOSN3C19H26 ABCD3E19F26 -6.28 2.27 -8.48 -0.48 0
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49215 11531938 1 PN2O6C20H29 AB2C6D20E29 -273.95 3.64 -8.46 -0.19 0
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49216 11531950 1 SO3N4C21H36 AB3C4D21E36 -152.48 8.07 -9.8 -0.28 0
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49217 11531956 1 ClN2O5H17C22 AB2C5D17E22 -141.06 1.1 -9.32 -0.97 0
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49218 11531981 1 FON6H19C24 ABC6D19E24 53.02 6.71 -8.3 -1.06 0
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49219 11531985 1 FPO5C21H44 ABC5D21E44 -430.35 3.1 -10.13 0.14 0
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49220 11531989 1 FN2O2C26H35 AB2C2D26E35 -99.15 2.61 -8.5 0.23 0
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49221 11532003 1 N5O6C19H33 A5B6C19D33 -303.91 5.49 -9.36 -0.01 0
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49222 11532010 1 NSO2C26H37 ABC2D26E37 -81.9 6.34 -8.42 -0.18 0
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49223 11532040 3 FNOC7H10 ABCD7E10 -311.28 7.85 -9.44 -0.95 0
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49224 11532043 1 NSO5C23H27 ABC5D23E27 -195.34 8.27 -9.6 -0.26 0
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49225 11532051 1 ClN3C27H28 AB3C27D28 93.49 5.88 -8.25 -0.12 0
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49226 11532104 1 SN2O5H16C23 AB2C5D16E23 -106.56 12.52 -8.78 -1.41 0
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49227 11532106 1 N2O5H24C25 A2B5C24D25 -138.02 3.79 -8.96 -0.97 1
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49228 11532110 1 SN2O3C24H37 AB2C3D24E37 -100.13 8.54 0.0 0.0 0
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49229 11532124 1 NO5C26H27 AB5C26D27 -155.22 4.75 -9.09 -0.47 0
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49230 11532127 1 SF2O2N3C22H25 AB2C2D3E22F25 -110.59 3.37 -8.99 -1.26 0
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49231 11532129 1 NO3C28H35 AB3C28D35 -106.36 2.55 -8.67 0.09 0
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49232 11532136 1 ClSN3O4C20H20 ABC3D4E20F20 -118.34 1.74 -8.66 -1.31 0
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49233 11532139 1 FOCl2N5H18C20 ABC2D5E18F20 -8.74 6.83 -8.9 -1.24 0
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49234 11532162 1 NOF7H20C21 ABC7D20E21 -375.2 2.73 -9.33 -1.19 0
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49235 11532188 2 OSN2H10C11 ABC2D10E11 20.7 1.59 -8.76 -1.15 0
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49236 11532192 1 O5C26H44 A5B26C44 -298.91 3.19 -10.08 0.41 0
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49237 11532220 1 SO2N6C22H26 AB2C6D22E26 -9.51 11.02 -8.38 -1.08 0
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49238 11532221 1 N2O2C29H30 A2B2C29D30 4.41 2.65 -8.97 0.09 0
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49239 11532231 1 FO4N5C22H22 AB4C5D22E22 -143.2 5.54 -9.33 -0.71 0
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49240 11532232 1 FSN3O6C19H22 ABC3D6E19F22 -247.39 4.58 -9.67 -1.07 0
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49241 11532235 1 NO6C25H29 AB6C25D29 -211.56 3.93 -9.17 0.07 0
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49242 11532236 1 O4N5C23H29 A4B5C23D29 -78.22 8.55 -8.7 -1.06 0
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49243 11532253 1 SN4O5H20C21 AB4C5D20E21 -87.17 5.1 -8.47 -0.58 0
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49244 11532255 1 ON8C24H24 AB8C24D24 69.93 6.45 -8.63 -0.97 0
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49245 11532263 1 OSN4H24C26 ABC4D24E26 96.75 6.03 -8.5 -0.61 0
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49246 11532273 1 ClSO3N6H13C19 ABC3D6E13F19 97.74 7.34 -9.52 -1.9 0
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49247 11532325 1 ClF3N6H14C21 AB3C6D14E21 -25.7 6.13 -9.08 -1.19 0
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49248 11532339 1 SN3O5C22H25 AB3C5D22E25 -156.29 1.88 -8.76 -0.68 0
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49249 11532344 1 ClNO3C26H34 ABC3D26E34 -129.57 3.58 -9.3 -0.24 0
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49250 11532348 1 SCl2N3O3C19H23 AB2C3D3E19F23 -116.92 8.97 -9.16 -1.21 0
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49251 11532350 1 SN2O2F3H19C23 AB2C2D3E19F23 -169.21 6.07 -8.85 -1.48 0
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49252 11532357 1 SO4N6C20H24 AB4C6D20E24 -44.66 7.22 -8.9 -0.98 0
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49253 11532359 1 ON8C24H28 AB8C24D28 97.03 3.76 -8.32 -0.8 0
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49254 11532361 2 OH14C16 AB14C16 197.09 2.72 -8.19 -1.19 0
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49255 11532364 1 O2N4C27H32 A2B4C27D32 -34.12 5.65 -8.76 0.05 0
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49256 11532368 3 N2C9H12 A2B9C12 63.04 4.61 -7.52 -0.14 0
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49257 11532369 1 SO2N4C24H36 AB2C4D24E36 -60.9 6.71 -8.71 -0.68 0
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49258 11532371 1 O3C29H48 A3B29C48 -192.16 3.68 -9.37 1.08 0
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49259 11532374 1 ClF3N4H20C23 AB3C4D20E23 -77.09 5.73 -8.1 -1.05 0
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49260 11532375 1 ClFOSN6H18C20 ABCDE6F18G20 35.97 3.46 -8.97 -1.04 0
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49261 11532395 1 Cl3O3N4C18H19 A3B3C4D18E19 -114.66 4.13 -9.6 -1.21 0
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49262 11532400 1 ClNPO4C23H25 ABCD4E23F25 -193.12 4.55 -9.02 -0.77 0
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49263 11532406 1 Cl2S2N3O3C17H17 A2B2C3D3E17F17 -70.38 2.3 -8.74 -1.23 0
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49264 11532408 1 SN2F3O3H17C22 AB2C3D3E17F22 -190.14 6.79 -8.74 -1.63 0
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49265 11532414 1 O2N8C23H26 A2B8C23D26 18.41 5.93 -8.38 -0.52 0
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49266 11532454 1 ClS2N4O4H13C18 AB2C4D4E13F18 26.48 6.39 -9.36 -1.64 0
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49267 11532464 1 N5O5C23H23 A5B5C23D23 -139.11 8.28 -8.64 -0.91 0
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49268 11532466 1 BrO2N3C21H43 AB2C3D21E43 -131.8 12.12 0.0 0.0 0
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49269 11532519 1 N3O5C25H29 A3B5C25D29 -131.47 9.93 -8.48 -0.65 0
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49270 11532528 1 ClON5C25H30 ABC5D25E30 33.07 4.74 -8.78 -0.77 0
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49271 11532546 1 O2N8C23H32 A2B8C23D32 30.51 5.26 -8.21 -0.66 0
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49272 11532572 1 ClN3O3C25H28 AB3C3D25E28 -69.32 3.29 -8.53 -0.61 0
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49273 11532575 1 ClNS3O4H16C19 ABC3D4E16F19 -110.44 4.55 -9.16 -1.62 0
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49274 11532578 1 BrNO4H20C23 ABC4D20E23 -98.12 2.65 -8.59 -0.52 0
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49275 11532587 1 SN4O4C23H26 AB4C4D23E26 -100.44 3.75 -8.68 -1.17 0
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49276 11532588 1 N4O4C25H34 A4B4C25D34 -158.27 1.31 -9.64 -0.3 0
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49277 11532589 2 ON2C14H15 AB2C14D15 -3.12 5.58 -8.43 -0.23 0
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49278 11532601 1 ClON2H27C29 ABC2D27E29 34.12 6.15 -8.82 -0.92 0
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49279 11532621 1 BrO2N3C23H26 AB2C3D23E26 -34.98 6.21 -8.83 -0.84 0
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49280 11532622 1 O3F4N6C19H20 A3B4C6D19E20 -219.71 4.79 -9.13 -1.25 0
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49281 11532632 1 O3N4C27H28 A3B4C27D28 -25.39 1.7 -8.54 -1.36 0
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49282 11532636 1 O5C28H40 A5B28C40 -163.19 3.16 -8.73 -0.42 0
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49283 11532646 1 FN3O4H20C26 AB3C4D20E26 -104.91 2.65 -8.57 -2.01 0
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49284 11532650 1 NNaO3H24C29 ABC3D24E29 -75.06 8.53 -8.72 -0.1 0