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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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216473 85086288 4 OC4H4 AB4C4 -114.53 2.87 -9.49 -0.19 0
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216474 85086290 1 O2C19H22 A2B19C22 -18.75 5.47 -7.95 -1.08 0
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216475 85086291 1 N2O3C15H16 A2B3C15D16 -35.54 3.16 -9.78 -0.83 1
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216476 85086292 1 N2O3C15H17 A2B3C15D17 -25.51 6.38 0.0 0.0 0
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216477 85086293 1 SN2O4C11H18 AB2C4D11E18 -184.08 7.57 -8.86 -0.1 0
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216478 85086294 1 O5C14H24 A5B14C24 -245.02 2.27 -9.72 0.86 0
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216479 85086295 1 O3C17H20 A3B17C20 -103.12 4.58 -9.4 0.2 0
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216480 85086296 1 ON4C15H20 AB4C15D20 25.95 9.21 -8.61 -0.83 0
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216481 85086297 1 SO4C13H20 AB4C13D20 -179.08 6.18 -10.15 -0.48 0
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216482 85086299 1 O4C15H28 A4B15C28 -223.28 5.02 -9.88 2.05 0
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216483 85086300 2 OC9H12 AB9C12 -29.12 0.69 -8.63 0.33 0
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216484 85086301 2 OC9H12 AB9C12 -72.49 4.71 -8.8 0.33 0
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216485 85086305 1 BrO2C12H17 AB2C12D17 -67.54 2.54 -10.07 -0.78 0
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216486 85086306 1 FO4N5C9H14 AB4C5D9E14 -113.09 5.66 -10.0 -0.56 0
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216487 85086307 1 N3O3C14H15 A3B3C14D15 -54.53 10.62 -9.06 -0.93 0
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216488 85086308 1 NO5C13H23 AB5C13D23 -243.92 1.68 -9.84 0.09 0
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216489 85086309 1 NO3C16H19 AB3C16D19 -86.94 4.96 -9.36 0.09 0
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216490 85086310 1 SN3O3C11H19 AB3C3D11E19 -125.72 0.66 -8.43 -0.07 0
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216491 85086311 1 OSN3C14H15 ABC3D14E15 21.35 4.41 -9.11 -1.18 0
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216492 85086312 1 NO2C17H23 AB2C17D23 -66.53 2.04 -9.71 -0.34 0
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216493 85086313 1 NO2C17H23 AB2C17D23 -107.05 5.08 -9.5 0.07 0
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216494 85086314 1 NO2C17H23 AB2C17D23 -88.21 5.12 -9.46 -0.1 0
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216495 85086315 1 NOC18H27 ABC18D27 -35.58 0.51 -8.74 0.42 0
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216496 85086316 1 NSiO2C14H31 ABC2D14E31 -150.82 1.34 -8.92 1.12 0
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216497 85086318 1 ON3C14H17 AB3C14D17 7.31 3.96 -8.77 -0.01 1
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216498 85086319 1 ON3C14H18 AB3C14D18 19.02 2.78 0.0 0.0 0
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216499 85086321 1 ClNSiLi2C13H26 ABCD2E13F26 20.16 21.5 -4.76 -1.45 0
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216500 85086324 1 SN2O5C10H16 AB2C5D10E16 -222.92 3.93 -9.4 -0.6 0
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216501 85086325 1 SN2O5C10H16 AB2C5D10E16 -222.71 3.11 -9.37 -0.5 0
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216502 85086326 1 N2O3C15H18 A2B3C15D18 -90.94 5.75 -9.59 -0.68 0
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216503 85086327 1 N4O4C11H22 A4B4C11D22 -199.89 2.79 -9.67 0.51 0
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216504 85086334 1 OSiC17H26 ABC17D26 -45.16 1.87 -9.27 0.42 0
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216505 85086335 1 ClO4C13H19 AB4C13D19 -208.53 0.61 -9.77 0.26 0
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216506 85086336 1 BrO3C11H15 AB3C11D15 -128.85 5.06 -10.01 -0.58 0
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216507 85086337 1 BrO3C11H15 AB3C11D15 -121.57 3.17 -9.15 0.14 0
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216508 85086338 1 BrO3C11H15 AB3C11D15 -149.6 4.04 -10.15 -0.91 0
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216509 85086340 1 NO4C15H17 AB4C15D17 -114.04 1.52 -8.37 -0.08 0
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216510 85086346 1 OPC16H35 ABC16D35 -154.75 4.88 -9.39 2.57 0
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216511 85086348 2 O3H6C7 A3B6C7 -178.58 2.29 -10.49 -1.14 0
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216512 85086349 2 ON4C5H6 AB4C5D6 51.37 4.03 -9.24 -0.68 0
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216513 85086350 1 SN2O3C13H14 AB2C3D13E14 -88.96 3.1 -9.47 -0.54 0
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216514 85086351 4 OC4H5 AB4C5 -140.93 2.11 -9.43 -0.32 0
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216515 85086352 4 OC4H5 AB4C5 -153.67 2.04 -9.98 -0.72 0
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216516 85086353 4 OC4H5 AB4C5 -149.64 3.66 -8.83 0.14 0
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216517 85086355 4 OC4H5 AB4C5 -129.9 3.5 -9.24 -0.74 0
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216518 85086356 1 N2O3C15H20 A2B3C15D20 -96.06 3.58 -8.84 -0.89 0
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216519 85086357 1 O3C17H24 A3B17C24 -110.4 2.69 -9.34 0.36 0
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216520 85086359 1 O3C17H24 A3B17C24 -134.78 0.71 -8.8 0.76 0
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216521 85086360 2 OC9H14 AB9C14 -63.28 3.49 -8.64 0.17 0
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216522 85086361 2 OC9H14 AB9C14 -104.22 2.71 -9.05 0.07 0
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216523 85086365 1 ClO2N4H9C12 AB2C4D9E12 -4.81 8.31 -10.33 -1.89 0
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216524 85086366 1 NO3C17H17 AB3C17D17 -56.36 4.95 -8.75 -0.57 0
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216525 85086367 1 N3O4C13H15 A3B4C13D15 -28.23 7.28 -10.15 -1.46 0
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216526 85086368 1 O3N5C12H15 A3B5C12D15 -39.77 5.47 -9.76 -1.18 0
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216527 85086369 1 SN5H7C14 AB5C7D14 192.53 5.77 -9.32 -2.25 0
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216528 85086372 1 NOC19H19 ABC19D19 24.16 3.54 -8.4 -0.02 0
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216529 85086374 1 ClNO3H12C14 ABC3D12E14 -33.84 2.26 -9.75 -0.78 0
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216530 85086375 1 F3O3N4C9H9 A3B3C4D9E9 -177.93 4.84 -8.69 -1.27 0
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216531 85086376 1 O5C15H18 A5B15C18 -182.37 6.21 -9.75 -0.22 0
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216532 85086378 1 ON4H14C16 AB4C14D16 90.69 8.8 -8.67 -2.1 0
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216533 85086379 1 SO4C14H14 AB4C14D14 -133.69 2.28 -9.71 -1.04 1
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216534 85086380 1 NO2H16C18 AB2C16D18 39.68 1.16 0.0 0.0 0
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216535 85086382 2 O2C8H11 A2B8C11 -159.11 3.03 -9.83 -0.83 0
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216536 85086383 1 O2H18C19 A2B18C19 -46.3 4.37 -8.84 -0.36 0
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216537 85086384 1 O2H18C19 A2B18C19 83.48 3.21 -8.77 -0.51 0
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216538 85086385 1 N2O3C15H22 A2B3C15D22 -97.08 3.71 -9.36 0.01 0
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216539 85086386 1 N2O3C15H22 A2B3C15D22 -126.33 3.11 -9.53 -0.42 0
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216540 85086387 1 O3C17H26 A3B17C26 -164.98 3.07 -9.52 0.89 0
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216541 85086389 1 SiO2C16H26 AB2C16D26 -106.1 1.92 -8.12 0.31 0
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216542 85086393 1 ON5C15H23 AB5C15D23 -11.81 6.83 -8.55 0.52 0
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216543 85086394 1 N7H13C14 A7B13C14 157.8 5.81 -8.44 -1.56 0
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216544 85086395 1 NO2H17C18 AB2C17D18 -36.3 3.23 -8.97 -0.92 0
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216545 85086397 1 NO3C16H25 AB3C16D25 -152.8 1.66 -8.78 0.53 0
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216546 85086399 1 ClNO2C15H18 ABC2D15E18 -40.71 3.65 -8.91 -0.4 0
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216547 85086400 1 BrNO2H10C12 ABC2D10E12 3.21 3.06 -9.47 -1.04 0