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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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146265 53661325 1 ClFO2C10H10 ABC2D10E10 -129.08 2.17 -9.69 -0.38 0
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146266 53661326 1 N4O4C19H20 A4B4C19D20 -54.88 7.08 -8.88 -1.71 0
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146267 53662097 1 O3N8C13H22 A3B8C13D22 -43.41 3.7 -8.67 -0.37 0
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146268 53662305 1 O3N5C27H31 A3B5C27D31 25.25 1.59 -8.24 -0.12 0
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146269 53662306 1 OS3C8H14 AB3C8D14 5.54 6.08 -8.6 -1.06 0
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146270 53662307 1 SN2Cl3O5H13C18 AB2C3D5E13F18 -149.72 4.88 -9.16 -1.68 0
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146271 53662462 1 S2N5O7H51C56 A2B5C7D51E56 7.95 3.24 -8.95 -0.8 1
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146272 53662663 1 N2O7C11H17 A2B7C11D17 -250.77 3.89 0.0 0.0 0
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146273 53662991 1 NO5C14H29 AB5C14D29 -248.89 5.91 -9.52 0.94 0
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146274 53663311 1 FN2O3C32H37 AB2C3D32E37 -125.07 3.86 -8.68 -0.39 1
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146275 53663364 1 SC2N4H7 AB2C4D7 82.38 5.11 0.0 0.0 0
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146276 53663436 2 NC10H15 AB10C15 116.95 3.93 -7.98 1.09 0
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146277 53663847 1 FN2O3C22H25 AB2C3D22E25 -144.97 8.4 -9.47 -0.65 0
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146278 53663888 1 NO2C16H19 AB2C16D19 -66.66 1.8 -8.53 -0.44 0
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146279 53663949 1 ON3H11C16 AB3C11D16 76.66 2.02 -9.4 -1.09 0
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146280 53664419 2 ClNSO3H8C9 ABCD3E8F9 -212.97 2.32 -9.14 -1.01 0
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146281 53664420 3 N3O3C13H19 A3B3C13D19 -393.54 12.85 -8.98 -0.61 0
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146282 53664421 1 N4O5C33H38 A4B5C33D38 -172.62 2.52 -9.05 -1.07 0
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146283 53664422 1 Cl2O4H12C13 A2B4C12D13 -137.88 5.85 -9.95 -1.25 0
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146284 53664423 1 Cl2O4H12C13 A2B4C12D13 -138.32 2.19 -9.91 -1.2 0
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146285 53664424 1 NC16H19 AB16C19 31.74 3.06 -9.25 -0.07 0
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146286 53664425 1 NOC4H9 ABC4D9 -9.63 0.44 -9.61 1.15 0
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146287 53664426 1 OSN2C19H26 ABC2D19E26 -15.86 2.69 -8.54 -0.07 0
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146288 53664427 1 N3O8C18H27 A3B8C18D27 -337.76 6.74 -9.78 -0.5 0
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146289 53664428 1 SO3N4C13H24 AB3C4D13E24 -99.94 2.83 -8.41 -0.4 0
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146290 53664631 1 NO3C27H33 AB3C27D33 -109.29 2.74 -8.44 0.38 0
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146291 53664935 1 OC18H18 AB18C18 11.08 3.11 -9.33 -0.12 0
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146292 53664965 1 BrClO3N4H24C25 ABC3D4E24F25 -21.75 5.99 -9.04 -1.05 0
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146293 53665114 1 ON2C13H28 AB2C13D28 -85.5 3.52 -8.96 0.98 0
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146294 53665375 1 SN3O5C31H33 AB3C5D31E33 -125.61 7.48 -9.5 -1.17 0
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146295 53665621 1 SN3O4H17C19 AB3C4D17E19 -84.18 3.49 -9.07 -1.8 0
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146296 53665622 1 O2C23H38 A2B23C38 -102.77 1.23 -9.45 0.59 0
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146297 53666286 1 NOSCl2H11C14 ABCD2E11F14 19.99 0.57 -9.68 -1.12 0
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146298 53666486 1 N2O2C31H34 A2B2C31D34 11.63 3.66 -8.63 -0.76 0
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146299 53666555 1 NO2C21H27 AB2C21D27 -57.12 2.26 -8.2 -0.39 0
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146300 53666575 1 FC28H29 AB28C29 5.3 2.26 -9.04 -0.22 0
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146301 53666576 1 ClO10N12H113C131 AB10C12D113E131 -64.55 24.62 -8.56 -1.28 0
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146302 53666577 2 ON2H10C12 AB2C10D12 19.35 6.26 -9.08 -1.0 0
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146303 53666845 1 SO2N3C12H15 AB2C3D12E15 -20.17 5.05 -9.38 -2.07 0
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146304 53666952 2 OC6H11 AB6C11 -125.99 3.42 -9.68 1.03 0
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146305 53667261 1 F5C28H39 A5B28C39 -296.42 6.11 -9.57 -0.9 0
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146306 53667262 1 ClNOC20H20 ABCD20E20 10.57 5.55 -8.82 -0.51 0
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146307 53668097 1 O5C16H28 A5B16C28 -246.04 5.11 -10.06 0.38 0
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146308 53668156 1 N4O5C33H40 A4B5C33D40 -148.61 1.87 -8.77 -0.39 0
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146309 53668364 1 BrSN4O4H17C19 ABC4D4E17F19 2.29 2.04 -9.17 -1.45 0
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146310 53668365 1 OS2N4C6H10 AB2C4D6E10 -0.92 3.85 -8.72 -0.92 0
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146311 53668366 1 N3O3C32H33 A3B3C32D33 -47.76 4.08 -8.46 -0.79 0
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146312 53669147 1 O3N5C19H19 A3B5C19D19 -29.31 5.77 -9.35 -1.34 0
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146313 53669148 2 OC11H16 AB11C16 -107.3 3.97 -8.31 0.74 0
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146314 53669149 1 S2C19H38 A2B19C38 -85.6 3.77 -8.25 -0.93 0
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146315 53669150 2 O9C25H34 A9B25C34 -326.29 2.88 -9.19 -0.26 0
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146316 53669151 1 O3C18H26 A3B18C26 -133.21 2.92 -8.63 0.25 0
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146317 53669484 1 FN4O4C34H39 AB4C4D34E39 -145.75 3.55 -9.02 -1.31 0
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146318 53669577 1 NO2C24H37 AB2C24D37 -111.92 8.36 -8.6 0.36 0
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146319 53669578 1 N3C17H23 A3B17C23 19.16 4.0 -8.13 0.25 1
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146320 53669700 1 PO4C14H20 AB4C14D20 -168.56 7.66 0.0 0.0 0
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146321 53669912 1 N3O5C24H33 A3B5C24D33 -113.21 1.82 -8.61 -0.5 0
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146322 53670011 1 SN2C18H24 AB2C18D24 39.35 6.68 -8.4 -0.07 0
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146323 53670487 1 SN2C19H24 AB2C19D24 56.63 1.98 -8.92 -1.09 0
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146324 53670723 1 O2C49H74 A2B49C74 -29.05 6.23 -6.9 -0.66 0
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146325 53670724 1 O2C49H74 A2B49C74 -139.33 4.54 -8.8 -0.59 0
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146326 53670920 1 N2O5C6H16 A2B5C6D16 -222.15 2.65 -9.17 1.56 0
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146327 53670921 1 N2O5C6H16 A2B5C6D16 -224.84 0.78 -9.66 1.25 0
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146328 53671054 1 SN2O5C17H22 AB2C5D17E22 -142.78 10.48 -9.58 -0.5 0
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146329 53671178 1 BrO2S2N4C10H13 AB2C2D4E10F13 51.76 2.92 -8.95 -0.88 0
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146330 53671343 1 SiN2O6C41H74 AB2C6D41E74 -400.93 6.2 -8.93 0.79 0
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146331 53671360 2 N2C8H13 A2B8C13 29.67 2.5 -8.76 0.3 0
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146332 53671598 1 NF3C11H12 AB3C11D12 -133.92 5.5 -8.65 -0.32 0
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146333 53671785 1 N2O2C21H22 A2B2C21D22 -10.64 5.34 -9.41 -1.11 0
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146334 53671786 1 O3C16H22 A3B16C22 -124.13 2.43 -9.79 -0.32 0
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146335 53671787 1 O3C17H28 A3B17C28 -152.03 2.39 -9.7 0.87 0
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146336 53671788 1 NO3C12H19 AB3C12D19 -151.86 4.31 -8.87 0.45 0
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146337 53671789 1 ClON2C24H31 ABC2D24E31 -12.19 4.18 -8.4 -0.08 0
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146338 53671790 1 ON4C16H34 AB4C16D34 -91.54 2.55 -9.75 0.5 0
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146339 53671839 1 NOF5C30H30 ABC5D30E30 -269.68 4.78 -9.55 -0.8 0
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146340 53672178 1 O2N3H15C17 A2B3C15D17 86.84 9.97 -9.02 -1.28 0
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146341 53672179 1 OC13H16 AB13C16 -27.0 1.6 -9.18 0.04 0
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146342 53672709 1 O8C31H40 A8B31C40 -316.19 4.54 -8.54 -0.73 0
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146343 53672710 1 SN4O6C20H24 AB4C6D20E24 -201.78 6.59 -9.16 -1.29 0
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146344 53672834 2 OC13H22 AB13C22 -147.76 2.68 -9.56 -0.35 0
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146345 53673244 1 SN3O11C29H35 AB3C11D29E35 -383.42 5.95 -9.36 -0.69 0
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146347 53673290 1 SN2O4C26H34 AB2C4D26E34 -155.7 1.91 -8.79 -0.28 0
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146348 53673291 1 NO4C19H21 AB4C19D21 -69.65 5.82 -9.49 -1.42 0
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146349 53673917 1 N3O3C10H15 A3B3C10D15 -25.91 5.2 -8.71 -0.74 0
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146350 53673941 2 ON3C11H13 AB3C11D13 10.08 2.37 -8.63 -1.15 0
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146351 53673942 1 N6O7C27H46 A6B7C27D46 -338.0 4.5 -9.13 -0.56 0
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146352 53673955 1 ClSN2O4H9C13 ABC2D4E9F13 -104.08 3.87 -8.97 -1.4 0
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146353 53673956 2 OC8H12 AB8C12 -104.05 2.13 -10.04 -0.57 0
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146354 53674575 1 N2O4C17H26 A2B4C17D26 -194.43 0.76 -9.48 0.27 0
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146355 53674820 2 NC9H12 AB9C12 30.83 2.23 -8.38 0.26 0
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146356 53674821 1 N2O2C9H20 A2B2C9D20 -113.69 2.07 -9.16 0.78 0
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146357 53675604 1 NOSi2C13H29 ABC2D13E29 -163.69 2.92 -9.28 1.09 0
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146358 53675714 1 ClNSiO2C24H36 ABCD2E24F36 -131.67 3.24 -8.73 -0.21 0
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146359 53675715 1 NC26H37 AB26C37 -44.98 1.39 -7.64 0.96 0
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146360 53675716 1 N5H7C9 A5B7C9 123.01 1.59 -9.06 -0.99 0
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146361 53676223 1 S2O5N6C13H14 A2B5C6D13E14 -66.64 10.02 -9.48 -1.16 0
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146362 53676438 1 OC20H30 AB20C30 -41.75 6.12 -9.0 -0.06 0
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146363 53676500 2 O2F3N3H4C9 A2B3C3D4E9 -191.15 6.44 -10.0 -2.28 0
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146364 53676501 1 ON2S2C15H24 AB2C2D15E24 -25.47 0.7 -7.63 0.08 0
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146365 53676502 1 FPO3C11H20 ABC3D11E20 -236.8 4.23 -9.67 -0.18 0