List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
122262 50800379 1 BrN2S2O3H15C16 AB2C2D3E15F16 -73.64 7.62 -8.45 -1.15 0
122263 50800405 1 BrFN5H17C20 ABC5D17E20 75.21 4.96 -9.14 -1.16 0
122264 50800410 2 NOSH7C8 ABCD7E8 -19.55 7.4 -8.53 -1.07 0
122265 50800523 1 FO2N4H17C19 AB2C4D17E19 -70.08 6.62 -9.23 -1.3 0
122266 50800531 2 ON2C9H12 AB2C9D12 -53.58 2.13 -8.95 -0.94 0
122267 50800532 1 O3N4C20H20 A3B4C20D20 -60.73 6.39 -8.41 -1.17 0
122268 50800583 1 ON5H17C19 AB5C17D19 101.67 6.96 -8.86 -0.73 0
122269 50800584 1 FON5H16C19 ABC5D16E19 54.99 5.65 -9.0 -0.86 0
122270 50800585 1 ClON5H22C23 ABC5D22E23 69.12 4.29 -8.62 -1.08 0
122271 50800586 1 FN5H18C21 AB5C18D21 77.25 3.53 -9.21 -1.18 0
122272 50800587 1 ClON5H22C27 ABC5D22E27 109.63 3.72 -8.99 -1.09 0
122273 50800588 1 N5C23H23 A5B23C23 112.17 6.12 -8.93 -0.93 0
122274 50800589 1 ON5C24H25 AB5C24D25 71.81 8.0 -8.56 -0.48 0
122275 50800696 1 O2N5H23C24 A2B5C23D24 32.13 4.53 -9.23 -1.26 0
122276 50800740 1 ON6C22H22 AB6C22D22 110.97 4.13 -8.42 -1.06 0
122277 50800741 1 OF3N6H21C23 AB3C6D21E23 -52.31 5.83 -8.82 -1.16 0
122278 50800742 1 O2N5H21C23 A2B5C21D23 40.89 3.13 -9.25 -1.29 0
122279 50800953 1 S2N3O3C23H27 A2B3C3D23E27 -36.01 3.63 -8.28 -0.95 0
122280 50801055 1 ClOS2N3C21H22 ABC2D3E21F22 30.96 3.89 -9.24 -0.97 0
122281 50801107 1 O3N5C26H35 A3B5C26D35 -79.89 5.2 -9.06 -0.49 0
122282 50801111 1 OS2N3C22H25 AB2C3D22E25 31.31 2.71 -9.04 -1.01 0
122283 50801185 1 O3N5C25H27 A3B5C25D27 -21.58 1.71 -8.6 -0.77 0
122284 50801267 1 SN3O4C16H21 AB3C4D16E21 -104.5 3.04 -10.05 -0.58 0
122285 50801268 1 FSN3O4H18C19 ABC3D4E18F19 -110.71 4.43 -9.03 -0.91 0
122286 50801269 1 FSN3O4H18C19 ABC3D4E18F19 -116.9 3.46 -8.52 -0.92 0
122287 50801270 1 FSN3O4H18C19 ABC3D4E18F19 -112.69 5.59 -9.05 -0.83 0
122288 50801271 1 SN4O4C18H18 AB4C4D18E18 -46.63 5.47 -10.21 -0.82 0
122289 50801272 1 ClSN3O4C16H20 ABC3D4E16F20 -112.32 2.12 -10.07 -0.95 0
122290 50801273 1 ClSN3O4C20H20 ABC3D4E20F20 -72.45 7.83 -9.78 -0.91 0
122291 50801274 1 ClSN3O4H18C19 ABC3D4E18F19 -73.5 6.41 -8.89 -0.89 0
122292 50801275 1 SN3O4C18H23 AB3C4D18E23 -108.6 7.82 -10.12 -0.66 0
122293 50801448 1 N3O3C25H25 A3B3C25D25 -38.68 3.12 -8.2 0.16 0
122294 50801499 1 BrN5H20C22 AB5C20D22 114.16 3.99 -8.95 -1.01 0
122295 50801505 1 ON5C24H25 AB5C24D25 72.37 5.76 -8.6 -0.82 0
122296 50801555 1 O2N6C29H32 A2B6C29D32 47.41 3.27 -8.69 -0.84 0
122297 50801571 3 FN2C9H9 AB2C9D9 -42.93 2.73 -8.74 -0.82 0
122298 50801572 1 F3N6H25C26 A3B6C25D26 -31.95 2.25 -8.84 -0.96 0
122299 50801573 1 ON6C26H28 AB6C26D28 91.15 4.65 -8.28 -0.72 0
122300 50801574 1 ClON5H18C20 ABC5D18E20 83.21 6.37 -9.1 -0.68 0
122301 50801575 1 ClN5H22C23 AB5C22D23 100.98 7.42 -9.01 -0.85 0
122302 50801576 1 ON5C25H27 AB5C25D27 62.59 5.87 -8.46 -0.8 0
122303 50801579 1 N5C25H27 A5B25C27 91.02 6.03 -8.78 -0.72 0
122304 50801583 1 O2N5H23C24 A2B5C23D24 43.16 7.2 -8.67 -0.78 0
122305 50801584 1 FN6C25H25 AB6C25D25 80.89 3.71 -8.56 -0.95 0
122306 50801731 1 FSO3N4C24H29 ABC3D4E24F29 -107.29 6.42 -8.9 -0.78 0
122307 50801772 1 ClSN3O3C21H22 ABC3D3E21F22 -47.72 6.31 -9.2 -0.95 0
122308 50801835 1 ClSN3O3C22H26 ABC3D3E22F26 -86.79 7.84 -8.98 -0.74 0
122309 50801836 1 SO3N4C22H34 AB3C4D22E34 -111.44 3.84 -8.79 -0.8 0
122310 50801885 1 ClSN3O3C21H24 ABC3D3E21F24 -82.55 2.89 -9.09 -0.86 0
122311 50801968 1 SN3O3C25H31 AB3C3D25E31 -83.46 7.22 -9.04 -0.86 0
122312 50802028 1 SO3N4C25H32 AB3C4D25E32 -60.18 6.27 -8.9 -0.74 0
122313 50802100 1 SO3N4C25H26 AB3C4D25E26 -40.93 4.4 -8.35 -0.92 0
122314 50802101 1 SO2N4C15H18 AB2C4D15E18 -17.38 2.75 -8.76 -0.68 0
122315 50802102 1 ClO2N4H19C21 AB2C4D19E21 -6.12 4.78 -8.58 -0.42 0
122316 50802103 1 ClSO2N4C15H17 ABC2D4E15F17 -26.16 5.79 -8.94 -1.02 0
122317 50802121 1 FN3O4H20C24 AB3C4D20E24 -110.34 4.42 -8.58 -1.02 0
122318 50802164 1 N3O4H23C25 A3B4C23D25 -76.82 6.15 -8.44 -0.96 0
122319 50802165 1 FN3O4H20C24 AB3C4D20E24 -110.44 8.4 -8.79 -1.06 0
122320 50802426 1 ClO2S2N6H17C20 AB2C2D6E17F20 23.84 2.57 -8.91 -1.53 0
122321 50802494 1 N3O4C16H19 A3B4C16D19 -115.91 4.54 -9.02 -0.98 0
122322 50802733 1 N3O3H23C25 A3B3C23D25 2.67 4.16 -8.43 -0.25 0
122323 50802744 1 SO2N3C21H27 AB2C3D21E27 -37.96 3.2 -9.0 -0.94 0
122324 50802767 1 SO2N3H21C22 AB2C3D21E22 17.74 3.68 -8.83 -1.03 0
122325 50802831 1 ClSO3N5H22C24 ABC3D5E22F24 -5.35 6.26 -9.1 -1.4 0
122326 50802842 1 BrSO2N5H22C24 ABC2D5E22F24 37.78 6.29 -9.14 -1.25 0
122327 50802843 1 SO3N5C26H27 AB3C5D26E27 -9.49 3.68 -9.02 -1.3 0
122328 50802854 1 FSO3N5H24C25 ABC3D5E24F25 -52.72 6.53 -8.94 -1.54 0
122329 50802855 1 FSO2N5H20C23 ABC2D5E20F23 -3.25 4.9 -9.05 -1.49 0
122330 50802856 1 BrFSO2N5H19C23 ABCD2E5F19G23 -0.72 4.74 -9.18 -1.55 0
122331 50802857 1 FSO2N5H22C24 ABC2D5E22F24 -11.09 4.7 -9.1 -1.48 0
122332 50802887 1 BrO2S2N5H18C21 AB2C2D5E18F21 51.58 4.86 -9.15 -1.64 0
122333 50802888 1 SO3N5C26H27 AB3C5D26E27 -9.84 4.11 -9.0 -1.52 0
122334 50802889 1 FSO3N5H22C24 ABC3D5E22F24 -44.51 4.72 -9.05 -1.32 0
122335 50803074 1 SO3N5C26H27 AB3C5D26E27 -12.8 7.43 -9.03 -1.16 0
122336 50803105 1 SO3N5C25H25 AB3C5D25E25 -5.59 4.36 -9.12 -1.32 0
122337 50803112 1 ClFSO3N5H21C24 ABCD3E5F21G24 -48.98 4.24 -9.22 -1.47 0
122338 50803224 1 ClSO4N5H24C25 ABC4D5E24F25 -39.98 7.39 -8.6 -1.52 0
122339 50803325 1 FSO3N6H23C24 ABC3D6E23F24 -41.82 6.28 -8.96 -1.52 0
122340 50803390 1 SO3N6C26H28 AB3C6D26E28 -15.58 5.9 -8.46 -1.32 0
122341 50803391 1 SO3N4C22H22 AB3C4D22E22 -3.65 6.26 -8.62 -1.11 0
122342 50803392 1 SO2N4H20C21 AB2C4D20E21 41.32 2.87 -8.74 -1.26 0
122343 50803393 1 FOSN4C20H25 ABCD4E20F25 -27.69 5.44 -9.24 -1.12 0
122344 50803414 1 FSO4N6H23C25 ABC4D6E23F25 -89.91 2.91 -9.24 -1.69 0
122345 50803437 1 ClO2S2N6H23C24 AB2C2D6E23F24 34.7 4.45 -8.45 -1.33 0
122346 50803448 1 O2S3N6C22H22 A2B3C6D22E22 47.51 4.2 -8.44 -1.58 0
122347 50803504 1 SF2O2N6H20C23 AB2C2D6E20F23 -50.96 3.81 -8.89 -1.58 0
122348 50803529 1 OSN4C23H32 ABC4D23E32 2.5 4.15 -8.99 -1.08 0
122349 50803562 1 OSN4C23H32 ABC4D23E32 1.04 4.67 -8.77 -1.06 0
122350 50803563 1 ClSO2N6C25H25 ABC2D6E25F25 17.19 4.41 -8.6 -1.67 0
122351 50803564 1 ClSO2N6C25H25 ABC2D6E25F25 13.46 4.79 -8.7 -1.69 0
122352 50803565 1 FSO2N6C25H25 ABC2D6E25F25 -22.58 5.33 -8.45 -1.6 0
122353 50803574 1 O2S2N6C23H24 A2B2C6D23E24 31.62 4.11 -8.56 -1.6 0
122354 50803575 1 FSO3N6H23C24 ABC3D6E23F24 -45.79 4.43 -9.12 -1.59 0
122355 50803576 1 ClSO3N6H23C24 ABC3D6E23F24 -6.14 2.48 -8.93 -1.63 0
122356 50803614 1 FOSN4H21C23 ABCD4E21F23 48.65 5.75 -9.39 -1.26 0
122357 50803615 1 ClSO2N4C18H21 ABC2D4E18F21 -9.55 4.57 -9.24 -1.33 0
122358 50803677 1 FOSN4H21C26 ABCD4E21F26 58.3 4.12 -9.12 -1.39 0
122359 50803678 1 ClSO2N4C22H27 ABC2D4E22F27 -20.63 5.47 -9.33 -1.2 0
122360 50803679 1 ClSO2N4H21C22 ABC2D4E21F22 29.14 6.15 -9.36 -1.51 0
122361 50803698 1 SO3N6C26H28 AB3C6D26E28 -13.52 6.64 -8.51 -1.24 0