List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
340381 127262392 1 ClNO2C19H30 ABC2D19E30 -134.06 2.85 -8.86 0.31 0
340382 127262393 1 NO2C19H29 AB2C19D29 -100.45 2.29 -8.66 0.4 0
340383 127262394 1 ClNO2C22H30 ABC2D22E30 -73.08 2.45 -8.75 0.06 0
340384 127262395 1 NO2C22H29 AB2C22D29 -40.45 3.76 -8.84 0.04 0
340385 127262396 1 ClN2O3C10H17 AB2C3D10E17 -166.8 6.31 -10.18 0.42 0
340386 127262397 1 O2C15H28 A2B15C28 -152.14 1.84 -10.36 1.0 0
340387 127262398 1 O5C12H20 A5B12C20 -247.3 1.33 -10.57 0.29 0
340388 127262399 1 O3C13H24 A3B13C24 -183.54 1.02 -10.34 0.88 0
340389 127262400 1 O3C13H24 A3B13C24 -183.21 4.04 -10.26 1.04 0
340390 127262401 1 OC11H22 AB11C22 -94.08 2.28 -9.91 3.05 0
340391 127262402 1 OC11H22 AB11C22 -92.71 2.07 -10.16 2.83 0
340392 127262403 4 OC4H5 AB4C5 -163.7 7.31 -10.21 -0.92 0
340393 127262404 1 SO3C13H18 AB3C13D18 -121.31 4.47 -10.31 -0.72 0
340394 127262405 1 SO4C14H26 AB4C14D26 -211.42 2.94 -10.92 -0.6 0
340395 127262406 1 O3C7H12 A3B7C12 -139.26 1.59 -9.56 0.57 0
340396 127262407 1 O3C7H12 A3B7C12 -138.49 2.3 -9.69 0.54 0
340397 127262408 1 NO3C5H11 AB3C5D11 -143.47 2.18 -9.86 0.64 0
340398 127262409 1 NO3C6H13 AB3C6D13 -146.67 2.06 -9.82 0.66 0
340399 127262410 1 OC9H16 AB9C16 -71.49 3.38 -9.72 0.85 0
340400 127262411 1 O3C14H18 A3B14C18 -110.7 3.29 -8.77 0.2 0
340401 127262412 1 O2S2C9H10 A2B2C9D10 -28.34 5.48 -8.61 -1.49 0
340402 127262413 1 OSC14H20 ABC14D20 -50.84 3.1 -8.69 -0.25 0
340403 127262414 1 ClO2N4C7H7 AB2C4D7E7 43.65 6.19 -9.22 -1.58 0
340404 127262415 1 NPO3C11H16 ABC3D11E16 -135.19 1.96 -9.02 -0.16 0
340405 127262416 1 NPO3C10H14 ABC3D10E14 -127.96 1.75 -9.03 -0.21 0
340406 127262417 1 NO3C12H15 AB3C12D15 -101.84 3.45 -10.08 -0.63 0
340407 127262418 1 NO3C11H13 AB3C11D13 -94.1 3.21 -10.12 -0.69 0
340408 127262419 1 SN2O5H14C19 AB2C5D14E19 -25.9 2.94 -10.18 -1.44 0
340409 127262420 1 NOCl3H8C10 ABC3D8E10 -3.72 3.48 -9.03 -0.89 0
340410 127262421 1 N2O2C13H16 A2B2C13D16 -35.84 3.29 -9.86 -0.51 0
340411 127262422 1 SN2O2H14C15 AB2C2D14E15 54.0 6.29 -9.49 -1.38 0
340412 127262423 1 OSN2C14H20 ABC2D14E20 -10.26 5.22 -8.2 -0.52 0
340413 127262424 2 NOC6H8 ABC6D8 -58.42 3.59 -9.69 -0.45 0
340414 127262425 1 N2O2C11H14 A2B2C11D14 -51.14 3.09 -9.76 -0.46 0
340415 127262426 2 NOC8H8 ABC8D8 -24.37 3.94 -8.75 -0.63 0
340416 127262427 1 OSN2C16H16 ABC2D16E16 33.31 3.65 -8.4 -0.78 0
340417 127262428 1 N2O2C13H18 A2B2C13D18 -63.81 2.82 -9.71 -0.44 0
340418 127262429 1 N2O4C9H10 A2B4C9D10 -26.17 6.29 -9.67 -1.66 0
340419 127262430 1 NSO2C15H15 ABC2D15E15 7.44 2.29 -8.81 -0.48 0
340420 127262431 2 NH17C20 AB17C20 158.56 1.85 -8.26 -0.1 0
340421 127262432 1 NCl2C19H23 AB2C19D23 4.83 3.39 -9.22 0.0 0
340422 127262433 1 NCl2C21H37 AB2C21D37 -75.81 3.12 -8.94 0.36 0
340423 127262434 1 SN2O8C36H60 AB2C8D36E60 -328.94 13.4 -6.2 -1.88 0
340424 127262435 1 ClNO2C17H20 ABC2D17E20 -107.01 3.29 -8.64 -0.28 0
340425 127262436 1 ClNO2C17H20 ABC2D17E20 -105.62 2.31 -8.88 -0.3 0
340426 127262437 1 O3C16H16 A3B16C16 -90.73 1.88 -8.91 -0.13 0
340427 127262438 1 SO2H12C13 AB2C12D13 -43.89 2.02 -9.05 -0.61 0
340428 127262439 2 O2C6H7 A2B6C7 -167.77 3.0 -9.2 -0.04 0
340429 127262440 1 O3C15H20 A3B15C20 -132.99 3.6 -8.76 0.11 0
340430 127262441 1 O3C21H34 A3B21C34 -168.97 3.56 -8.86 0.08 0
340431 127262442 1 O3C15H22 A3B15C22 -139.72 2.63 -8.84 0.05 0
340432 127262443 1 O3C17H26 A3B17C26 -149.57 2.77 -8.84 0.04 0
340433 127262444 1 O3C13H18 A3B13C18 -129.4 2.87 -8.85 0.03 0
340434 127262445 1 SN3O4C10H13 AB3C4D10E13 -97.74 10.32 -9.25 -0.58 0
340435 127262446 1 N2S2O3C16H20 A2B2C3D16E20 -84.14 5.69 -8.81 -0.65 0
340436 127262447 1 NSO4C7H11 ABC4D7E11 -174.84 7.24 -8.67 -0.32 0
340437 127262448 1 BrN2S2O3C15H17 AB2C2D3E15F17 -62.69 6.41 -9.27 -0.99 0
340438 127262449 1 ClN2S2O3C15H17 AB2C2D3E15F17 -77.66 7.52 -9.29 -0.82 0
340439 127262450 1 N2S2O3C18H24 A2B2C3D18E24 -88.19 8.36 -9.41 -0.56 0
340440 127262451 1 N2S2O3C17H22 A2B2C3D17E22 -81.73 4.85 -9.38 -0.75 0
340441 127262452 1 BrN2S2O3C15H17 AB2C2D3E15F17 -105.74 6.75 -9.36 -0.63 0
340442 127262453 1 ClN2S2O3C15H17 AB2C2D3E15F17 -83.92 4.89 -9.26 -1.05 0
340443 127262454 1 NaSN2O4C7H7 ABC2D4E7F7 -190.76 8.93 -9.09 -0.74 0
340444 127262455 1 Na2S2N6O9H22C27 A2B2C6D9E22F27 -438.16 6.4 -8.46 -0.87 0
340445 127262456 1 SCl2N2O3C9H16 AB2C2D3E9F16 -197.78 2.63 -9.02 -1.03 0
340446 127262457 1 BrO4C11H11 AB4C11D11 -141.8 3.41 -9.73 -0.82 0
340447 127262458 2 ClO2H7C8 AB2C7D8 -135.06 4.43 -9.44 -1.02 0
340448 127262459 1 NO3H13C15 AB3C13D15 -61.53 4.65 -8.62 -1.37 0
340449 127262460 1 N2O3C17H18 A2B3C17D18 -44.81 5.31 -8.2 -0.53 0
340450 127262461 1 N2O3H12C14 A2B3C12D14 -37.56 6.59 -8.94 -1.8 0
340451 127262462 1 N2O3C16H16 A2B3C16D16 -38.11 4.28 -8.29 -0.54 0
340452 127262463 1 NO7C9H11 AB7C9D11 -289.36 4.35 -9.44 -1.36 0
340453 127262464 1 O3C13H16 A3B13C16 -100.91 3.86 -9.08 -0.58 0
340454 127262465 1 O4C15H18 A4B15C18 -157.72 4.44 -9.7 -0.53 0
340455 127262466 1 O2S3H14C21 A2B3C14D21 31.64 6.2 -8.73 -1.52 0