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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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14289 408111 1 ClNO2C17H20 ABC2D17E20 -50.81 5.28 -8.85 -0.07 0
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14290 408167 5 NC2H3 AB2C3 54.28 4.2 -8.95 -0.41 0
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14291 408218 1 NOC10H13 ABC10D13 -14.55 3.36 -9.57 0.16 0
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14292 408305 1 ClNC11H16 ABC11D16 -10.37 4.41 -8.28 0.14 0
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14293 408316 1 AsO5C8H9 AB5C8D9 -165.06 3.76 -9.63 -0.44 0
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14294 408339 1 NO3C34H34 AB3C34D34 -28.07 9.07 0.0 0.0 1
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14295 408341 1 NO3H21C27 AB3C21D27 6.75 4.48 -8.22 -1.92 0
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14296 408344 1 N2O3C7H14 A2B3C7D14 -154.55 4.36 -9.69 0.31 0
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14297 408389 1 ON2C9H13 AB2C9D13 -23.85 3.63 0.0 0.0 1
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14298 408432 1 N3C13H15 A3B13C15 48.35 3.69 -8.93 -0.74 0
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14299 408433 1 SN2O2H14C15 AB2C2D14E15 -43.07 4.39 -8.77 -0.67 0
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14300 408469 1 NOC28H39 ABC28D39 -42.8 2.96 -8.56 -0.61 0
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14302 408541 1 NOCl2C21H27 ABC2D21E27 -50.24 3.43 -8.91 -0.03 0
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14303 408583 2 NOC7H11 ABC7D11 -78.89 2.09 -8.24 0.16 0
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14304 408606 1 ON4C7H8 AB4C7D8 23.82 11.53 -9.23 -0.36 0
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14305 408608 1 ClO2N3C20H24 AB2C3D20E24 -40.94 6.94 -8.03 -1.09 0
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14306 408666 1 ON2C21H28 AB2C21D28 3.07 2.09 -8.36 0.23 0
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14307 408700 1 N2O2C19H28 A2B2C19D28 -89.78 3.67 -8.73 0.17 0
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14308 408710 3 NOSH5C7 ABCD5E7 -20.63 3.7 -8.84 -1.41 0
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14309 408822 1 ON2C7H14 AB2C7D14 -55.63 3.0 -9.29 0.97 0
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14310 408833 1 BiC4O6H9 AB4C6D9 -238.12 5.81 -9.84 -0.27 0
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14311 408937 1 N5C8H9 A5B8C9 118.29 6.27 -9.62 -1.36 0
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14312 408939 1 O3N5H7C11 A3B5C7D11 104.95 7.61 -10.56 -1.88 0
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14313 409032 1 N2O2C17H28 A2B2C17D28 -19.53 12.49 -5.76 -0.35 2
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14314 409033 1 O3N4C18H18 A3B4C18D18 -73.42 1.65 -9.81 -0.32 0
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14315 409078 4 NOC8H12 ABC8D12 12.12 22.89 -6.43 -2.22 2
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14316 409086 2 N2O3C14H22 A2B3C14D22 -60.4 11.69 -7.07 -2.22 2
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14317 409097 1 BrOSN3C6H6 ABCD3E6F6 49.91 2.9 -9.56 -1.33 0
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14318 409113 1 ON2C29H51 AB2C29D51 -70.94 3.49 0.0 0.0 1
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14320 409126 4 ClNH7C11 ABC7D11 213.87 2.39 -8.22 -1.59 0
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14321 409140 1 NO2C9H11 AB2C9D11 -63.86 1.89 -9.7 -0.08 0
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14322 409141 1 NO2C11H15 AB2C11D15 -59.13 2.22 -8.88 -0.71 0
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14323 409142 1 S2N3O6H13C16 A2B3C6D13E16 -141.84 4.82 -9.23 -1.88 0
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14324 409144 1 NC12H20 AB12C20 23.68 1.55 0.0 0.0 1
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14325 409158 1 NO4C19H33 AB4C19D33 -213.21 2.36 -8.82 0.61 0
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14326 409235 2 NC7H13 AB7C13 -12.9 0.72 -8.55 1.28 0
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14327 409379 2 SC2O2H5 AB2C2D5 -174.92 1.96 -8.82 -0.39 0
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14328 409456 1 ON4C8H12 AB4C8D12 -19.55 9.32 -9.4 -0.1 0
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14329 409478 1 NO2C21H25 AB2C21D25 -48.37 1.99 -8.71 0.1 0
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14330 409479 1 BrNOC21H26 ABCD21E26 0.75 4.3 -8.62 -0.56 0
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14331 409483 2 H14C19 A14B19 156.51 0.13 -8.98 -0.07 0
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14332 409489 1 N2C17H26 A2B17C26 30.7 3.39 -8.6 -0.27 0
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14333 409574 2 BiS3C6H6O6 AB3C6D6E6 -482.36 11.87 -9.57 -3.09 0
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14334 409632 1 ON5C6H7 AB5C6D7 61.01 7.0 -9.74 -1.28 0
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14335 409635 1 OSN4C7H8 ABC4D7E8 34.51 5.13 -9.22 -1.34 0
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14336 409706 1 NOC23H39 ABC23D39 -69.83 3.05 -8.86 -0.34 0
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14337 409743 2 OC2S2H3 AB2C2D3 -37.14 2.03 -9.24 -1.24 0
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14338 409762 1 ClON3H16C17 ABC3D16E17 17.3 5.11 -8.73 -0.92 0
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14339 409822 1 OCl2N2H20C21 AB2C2D20E21 0.13 4.48 -9.28 -0.94 0
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14340 409823 2 NOC11H12 ABC11D12 -23.36 2.31 -8.74 -0.85 0
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14341 409829 2 NS2C4H7 AB2C4D7 27.81 0.08 -8.91 -0.81 0
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14342 409854 1 O2N6C14H15 A2B6C14D15 97.4 7.9 0.0 0.0 1
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14343 409855 1 ClNOC15H16 ABCD15E16 -3.2 2.6 -8.14 -0.83 0
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14344 409876 1 N5C14H15 A5B14C15 76.95 2.66 -8.52 -0.06 0
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14345 409877 2 NOC7H10 ABC7D10 -49.15 5.55 -8.91 -1.61 0
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14346 409878 2 ON2C11H18 AB2C11D18 -69.88 3.49 -8.69 -0.89 0
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14347 409882 1 SN2O4C12H32 AB2C4D12E32 -124.14 29.3 -5.6 -1.89 2
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14348 409883 1 Cl2N2C23H26 A2B2C23D26 45.05 2.37 -7.96 -0.2 0
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14349 409884 1 OH2C3N6 AB2C3D6 116.6 3.77 -11.12 -2.43 0
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14350 409886 1 NO2C10H13 AB2C10D13 -69.87 2.23 -9.67 -0.11 0
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14351 409887 1 O2N3H26C30 A2B3C26D30 164.97 5.03 0.0 0.0 1
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14352 409891 1 Cl2N2O2H5C8 A2B2C2D5E8 2.54 5.62 0.0 0.0 1
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14353 409914 1 NO3C20H25 AB3C20D25 -71.68 2.87 -8.56 -0.07 0
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14354 409918 1 ON2C19H24 AB2C19D24 5.52 1.92 -8.7 0.13 0
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14355 409925 1 NC12H18 AB12C18 29.68 1.58 0.0 0.0 1
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14356 409926 1 ClN2C18H21 AB2C18D21 38.11 1.42 -8.41 -0.03 0
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14357 409928 1 N2O2C19H28 A2B2C19D28 -79.28 1.84 -8.54 -1.34 0
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14358 410009 1 ClS2N3O4H6C7 AB2C3D4E6F7 -106.2 4.22 -9.91 -1.54 0
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14359 410102 2 SN2C7H9 AB2C7D9 67.17 3.03 -8.93 -0.49 0
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14360 410126 1 NOC23H29 ABC23D29 -7.21 1.78 -8.25 0.07 0
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14361 410153 1 NO2C25H52 AB2C25D52 -152.43 1.71 0.0 0.0 1
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14362 410164 2 N2O4C17H25 A2B4C17D25 -351.65 6.75 -8.66 -0.67 0
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14363 410188 1 NOC14H14 ABC14D14 19.2 2.1 0.0 0.0 1
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14364 410192 1 ClN2O4C16H25 AB2C4D16E25 -8.33 31.83 -5.25 -3.28 2
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14365 410209 1 NOC17H27 ABC17D27 -56.96 1.61 -8.39 0.31 0
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14366 410234 1 NO2C13H17 AB2C13D17 -54.89 4.97 -8.28 -0.12 0
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14367 410299 1 N4O8C13H16 A4B8C13D16 -64.2 2.35 -8.97 -2.91 0
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14368 410335 2 H15C19 A15B19 156.33 0.26 -8.88 -0.07 0
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14369 410349 1 NOC25H33 ABC25D33 -12.84 2.58 -8.25 0.08 0
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14370 410350 1 NO4C26H33 AB4C26D33 -146.62 4.56 -8.85 -0.7 0
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14371 410352 1 ON2C14H29 AB2C14D29 -34.41 1.28 0.0 0.0 1
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14372 410354 1 NC12H24 AB12C24 6.09 0.31 0.0 0.0 1
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14373 410367 1 NC8H16 AB8C16 8.22 1.78 0.0 0.0 1
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14374 410373 1 NC11H22 AB11C22 -0.14 0.31 0.0 0.0 1
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14375 410497 1 SN2O6C9H11 AB2C6D9E11 -190.88 7.6 0.0 0.0 1
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14377 410501 1 ON4C11H16 AB4C11D16 36.56 4.56 -8.99 -0.56 0
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14378 410502 1 OCl2N6C18H22 AB2C6D18E22 54.55 6.34 -8.98 -1.59 0
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14379 410507 1 ClH4C5N5 AB4C5D5 102.94 3.85 -10.0 -1.72 0
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14380 410508 1 ON5C13H21 AB5C13D21 -6.91 11.65 -9.24 -0.23 0
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14381 410535 1 ON4H10C12 AB4C10D12 95.22 3.87 -9.79 -1.66 0
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14382 410538 1 ON3C18H27 AB3C18D27 -19.35 1.81 -8.07 -0.43 0
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14383 410539 1 O2N3C18H25 A2B3C18D25 -49.02 3.71 -7.94 -0.35 0
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14384 410540 1 ON3C20H23 AB3C20D23 24.17 3.38 -7.93 -0.3 0
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14385 410541 1 OSN3H13C17 ABC3D13E17 58.59 0.51 -8.38 -0.99 0
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14386 410543 1 ON3C17H25 AB3C17D25 -11.15 1.81 -8.03 -0.34 0
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14387 410558 1 ON3C21H33 AB3C21D33 -29.13 2.79 -7.92 -0.35 0
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14388 410565 1 ON3C18H27 AB3C18D27 -18.0 4.2 -7.82 -0.22 0
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14389 410568 1 O2N3C22H35 A2B3C22D35 -83.34 2.9 -8.02 -0.41 0
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14390 410619 1 NO3C15H23 AB3C15D23 -119.54 4.45 -8.97 -0.38 0
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14391 410623 1 N2O3C19H30 A2B3C19D30 -139.09 3.69 -8.44 -0.38 0