List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
340306 127262317 1 O3C15H20 A3B15C20 -117.2 3.28 -8.8 0.22 0
340307 127262318 1 ClO3C8H11 AB3C8D11 -138.98 3.59 -10.94 -0.47 0
340308 127262319 1 SO3C12H16 AB3C12D16 -111.23 2.52 -9.32 -0.44 0
340309 127262320 1 SO4C13H16 AB4C13D16 -140.64 6.24 -10.26 -0.64 0
340310 127262321 1 ClO2C13H15 AB2C13D15 -81.2 2.46 -9.53 -0.1 0
340311 127262322 1 O2C11H20 A2B11C20 -119.08 2.14 -10.62 0.91 0
340312 127262323 1 O3C11H18 A3B11C18 -131.89 3.3 -9.97 0.13 0
340313 127262324 1 SiO3C18H26 AB3C18D26 -140.12 4.15 -9.33 -0.13 0
340314 127262325 1 ClOC10H15 ABC10D15 -53.89 4.69 -9.49 0.12 0
340315 127262326 3 OC6H6 AB6C6 -34.99 5.28 -8.39 -0.32 0
340316 127262327 1 ClOC10H15 ABC10D15 -52.14 4.69 -9.45 0.1 0
340317 127262328 1 O2C15H20 A2B15C20 -73.05 2.7 -9.23 0.26 0
340318 127262329 3 OC5H6 AB5C6 -95.81 4.89 -9.04 -0.01 0
340319 127262330 1 C15H26 A15B26 -30.86 0.39 -8.64 1.61 0
340320 127262331 1 BrOC14H25 ABC14D25 -80.94 1.55 -9.4 0.26 0
340321 127262332 1 OSSiC22H44 ABCD22E44 -144.54 1.65 -8.07 0.59 0
340322 127262333 1 OSSiC19H38 ABCD19E38 -129.32 2.08 -8.0 0.44 0
340323 127262334 1 OSSiC24H40 ABCD24E40 -99.97 2.42 -8.14 0.14 0
340324 127262335 1 NO2C16H27 AB2C16D27 -62.35 2.39 -9.77 0.03 0
340325 127262336 1 OSC17H30 ABC17D30 -79.5 3.01 -8.52 0.38 0
340326 127262337 1 ClNOC12H22 ABCD12E22 -12.15 3.02 -9.46 -1.05 0
340327 127262338 1 SO2C23H36 AB2C23D36 -111.5 5.98 -9.03 -0.35 0
340328 127262339 4 C6H11 A6B11 -70.7 0.3 -8.94 1.57 0
340329 127262340 1 OC22H42 AB22C42 -111.76 1.61 -8.65 1.16 0
340330 127262341 1 C13H22 A13B22 -11.16 0.95 -9.15 0.79 0
340331 127262342 1 NC17H23 AB17C23 35.37 2.03 -9.04 0.47 0
340332 127262343 1 IO2C12H21 AB2C12D21 -90.87 4.59 -9.1 -0.28 0
340333 127262344 1 NO3C16H21 AB3C16D21 -76.34 5.15 -9.85 -0.23 0
340334 127262345 1 O3C12H20 A3B12C20 -154.07 4.23 -9.94 0.18 0
340335 127262346 1 O3H20C21 A3B20C21 -60.98 4.09 -8.62 -0.34 0
340336 127262347 1 O3C23H24 A3B23C24 -54.56 5.73 -8.43 0.04 0
340337 127262348 2 OC7H8 AB7C8 -63.9 2.51 -8.83 -0.01 0
340338 127262349 1 NOC19H25 ABC19D25 -26.25 2.53 -8.3 0.4 0
340339 127262350 2 C11H17 A11B17 -24.82 0.61 -9.18 0.52 0
340340 127262351 1 NC17H25 AB17C25 -3.34 0.79 -8.77 0.41 0
340341 127262352 1 NC22H37 AB22C37 -42.27 2.71 -8.91 1.17 0
340342 127262353 1 NC19H33 AB19C33 -28.0 2.14 -9.04 1.33 0
340343 127262354 1 NC14H25 AB14C25 -17.07 2.79 -9.04 0.83 0
340344 127262355 1 NC14H25 AB14C25 -22.58 1.73 -9.04 1.24 0
340345 127262356 1 NC17H29 AB17C29 -10.44 2.08 -9.18 1.29 0
340346 127262357 1 NC12H21 AB12C21 -6.62 2.03 -9.13 0.84 0
340347 127262358 1 NC11H21 AB11C21 -24.35 0.97 -8.74 1.41 0
340348 127262359 1 NC15H27 AB15C27 -8.34 0.68 -8.44 1.28 0
340349 127262360 1 NC16H23 AB16C23 16.53 1.38 -8.62 0.5 0
340350 127262361 1 BrC9H15 AB9C15 -13.93 2.31 -9.74 0.19 0
340351 127262362 1 OC12H20 AB12C20 -55.53 0.77 -7.99 0.87 0
340352 127262363 1 C13H24 A13B24 -41.34 0.13 -8.71 1.66 0
340353 127262364 1 FC15H25 AB15C25 -85.02 1.6 -9.71 1.16 0
340354 127262365 1 O3C13H24 A3B13C24 -143.43 1.33 -9.64 1.23 0
340355 127262366 2 OC9H17 AB9C17 -163.27 0.19 -9.92 2.74 0
340356 127262367 1 O2C13H22 A2B13C22 -80.93 2.27 -8.49 1.4 0
340357 127262368 1 O2C9H16 A2B9C16 -86.21 3.16 -8.79 1.1 0
340358 127262369 2 OC5H10 AB5C10 -66.71 2.09 -9.67 0.52 0
340359 127262370 2 OC6H11 AB6C11 -108.01 2.99 -9.57 0.98 0
340360 127262371 2 O3C8H13 A3B8C13 -281.02 1.9 -9.94 -0.02 0
340361 127262372 2 C7H11 A7B11 5.42 0.65 -9.83 1.23 0
340362 127262373 1 NPO6C9H18 ABC6D9E18 -357.69 6.53 -10.51 0.36 0
340363 127262374 1 NSO6C9H17 ABC6D9E17 -283.03 3.15 -10.49 -1.1 0
340364 127262375 2 O2C8H11 A2B8C11 -177.95 4.37 -9.01 0.16 0
340365 127262376 1 O3C12H22 A3B12C22 -185.68 3.17 -10.64 0.75 0
340366 127262377 1 O3C13H24 A3B13C24 -191.9 3.04 -10.6 0.77 0
340367 127262378 1 ClOC15H17 ABC15D17 -39.16 3.22 -9.49 -0.24 0
340368 127262379 1 NO3C11H19 AB3C11D19 -156.98 4.82 -9.25 1.01 0
340369 127262380 1 NO3C11H19 AB3C11D19 -159.55 5.83 -9.35 0.93 0
340370 127262381 1 NO2C9H17 AB2C9D17 -110.97 4.1 -9.27 1.16 0
340371 127262382 1 NO2C9H17 AB2C9D17 -112.96 2.1 -9.34 1.08 0
340372 127262383 1 NO3C15H19 AB3C15D19 -76.21 5.03 -9.88 -0.26 0
340373 127262384 1 NO3C9H15 AB3C9D15 -115.79 2.01 -9.88 0.52 0
340374 127262385 1 O3C11H18 A3B11C18 -152.15 4.07 -9.93 0.19 0
340375 127262386 2 NOC7H9 ABC7D9 -61.81 4.95 -9.45 -0.35 0
340376 127262387 1 NO2C18H21 AB2C18D21 -66.42 3.29 -8.81 -0.63 0
340377 127262388 1 NO2C14H19 AB2C14D19 -78.75 3.5 -9.15 0.05 0
340378 127262389 1 NO3C21H23 AB3C21D23 -97.89 3.64 -9.24 -0.26 0
340379 127262390 1 O4C13H24 A4B13C24 -217.16 4.05 -9.95 0.7 0
340380 127262391 1 O4C11H20 A4B11C20 -207.14 4.55 -9.97 0.72 0