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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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390312 134998440 1 NPO6C10H20 ABC6D10E20 -312.75 4.69 -9.52 0.6 0
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390313 134998441 1 FPN3O6C13H21 ABC3D6E13F21 -331.47 2.22 -9.95 -0.9 0
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390314 134998444 1 N2O2H16C19 A2B2C16D19 63.17 2.4 -8.8 -0.49 0
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390315 134998453 1 CrO5H14C21 AB5C14D21 -22.29 2.41 -6.7 -0.83 0
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390316 134998456 1 O3C17H18 A3B17C18 -96.16 1.11 -8.88 0.2 0
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390317 134998457 1 AlLiON2C34H64 ABCD2E34F64 -171.5 12.16 -6.83 -0.54 0
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390318 134998458 1 NO2C11H13 AB2C11D13 -9.81 1.78 -9.49 0.1 0
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390319 134998461 2 NOC11H13 ABC11D13 11.85 3.21 -8.9 0.05 0
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390320 134998464 1 N2O3C19H20 A2B3C19D20 -30.37 1.31 -9.51 -0.08 0
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390321 134998468 2 NOC12H12 ABC12D12 37.27 5.32 -8.74 -0.18 0
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390322 134998475 1 PO4F6C11H19 AB4C6D11E19 -577.6 3.16 -10.46 -0.2 0
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390323 134998481 1 N2O3H16C19 A2B3C16D19 -19.08 3.98 -8.92 -1.18 0
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390324 134998486 1 NO3C16H21 AB3C16D21 -135.28 2.01 -9.17 0.05 0
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390325 134998495 2 OS2N4C8H13 AB2C4D8E13 84.13 0.38 -9.09 -1.64 0
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390326 134998498 1 O5N8C10H12 A5B8C10D12 120.37 4.43 -10.62 -2.53 0
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390327 134998533 8 C2H3 A2B3 -10.48 1.35 -9.21 0.52 0
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390328 134998534 1 OPN2H19C21 ABC2D19E21 43.87 6.07 -9.82 -0.24 0
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390329 134998535 1 FOPN2H18C21 ABCD2E18F21 -4.86 3.95 -9.62 -0.37 0
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390330 134998536 1 ClOPN2H18C21 ABCD2E18F21 35.33 4.74 -9.71 -0.38 0
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390331 134998539 1 OPCl2N2H17C21 ABC2D2E17F21 24.55 4.56 -9.79 -0.71 0
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390332 134998542 1 PN3O3H18C21 AB3C3D18E21 40.18 9.64 -10.0 -1.17 0
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390333 134998553 1 ClNSiO3C20H30 ABCD3E20F30 -127.91 3.99 -9.32 -0.52 0
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390334 134998557 1 FOC8H15 ABC8D15 -126.6 3.26 -10.27 0.6 0
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390335 134998558 1 SSiN2O7C30H42 ABC2D7E30F42 -307.18 6.57 -8.26 -0.79 0
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390337 134998572 2 N2O2C12H21 A2B2C12D21 -124.48 2.5 -8.33 -0.07 0
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390339 134998576 2 FeSO3H4C10 ABC3D4E10 221.32 3.0 -7.28 -0.21 0
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390340 134998580 1 NSeCl3H14C19 ABC3D14E19 73.07 5.57 -9.22 -1.59 0
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390341 134998582 2 NC9H14 AB9C14 28.24 5.44 -10.1 -0.66 0
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390342 134998583 2 NC7H10 AB7C10 44.46 5.23 -10.16 -0.58 0
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390343 134998602 2 NOC8H8 ABC8D8 -18.55 1.51 -9.48 -0.82 0
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390344 134998607 1 SiO5C26H44 AB5C26D44 -280.98 3.18 -8.72 0.26 0
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390345 134998608 1 NO4C15H15 AB4C15D15 -80.09 5.05 -8.39 -0.06 0
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390346 134998610 1 SN2F3O5H17C22 AB2C3D5E17F22 -175.78 6.07 -9.78 -2.03 0
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390347 134998611 1 N2S2O3C21H22 A2B2C3D21E22 -17.86 2.84 -8.25 -1.27 0
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390348 134998612 1 ClO2C16H29 AB2C16D29 -158.51 2.92 -9.79 0.82 1
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390349 134998616 1 SiN2O2C24H39 AB2C2D24E39 -118.84 2.84 0.0 0.0 0
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390350 134998617 1 Br2O2C5H8 A2B2C5D8 -88.12 0.98 -10.56 -1.32 0
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390351 134998622 3 O2C7H10 A2B7C10 -273.71 1.75 -9.28 0.93 0
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390352 134998623 1 NO2C29H29 AB2C29D29 33.12 2.07 -8.62 0.1 0
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390353 134998625 1 NO2H27C36 AB2C27D36 115.27 1.58 -8.53 -0.6 0
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390354 134998626 1 NO2H31C36 AB2C31D36 92.59 2.11 -8.46 -0.39 0
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390355 134998634 1 ClN2O2S2H19C20 AB2C2D2E19F20 18.2 4.62 -8.88 -1.26 0
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390356 134998641 1 N2O2S2C17H22 A2B2C2D17E22 -12.88 8.27 -8.55 -0.82 0
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390357 134998642 1 NO2C14H21 AB2C14D21 -33.61 4.23 -8.73 0.09 0
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390358 134998647 2 NOC8H11 ABC8D11 -13.55 5.8 -8.94 -0.05 0
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390359 134998673 1 N4O11C26H28 A4B11C26D28 -232.86 7.4 -10.04 -2.12 0
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390360 134998697 1 NSO3C14H29 ABC3D14E29 -159.85 5.35 -10.1 0.27 0
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390361 134998699 1 BrN2O2H31C33 AB2C2D31E33 57.14 2.06 -9.28 -0.23 0
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390362 134998700 1 NSC11H15 ABC11D15 30.04 1.21 -8.39 -0.12 0
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390363 134998702 1 NSO2C13H19 ABC2D13E19 -60.76 3.55 -8.23 0.43 0
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390364 134998703 1 NSO2C14H21 ABC2D14E21 -65.39 3.7 -8.28 0.5 0
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390365 134998707 1 NSO2C22H33 ABC2D22E33 -62.23 4.21 -8.09 -0.35 0
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390366 134998714 1 SN2O3C10H12 AB2C3D10E12 1.39 5.36 -8.86 -1.7 0
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390367 134998728 1 N2S2O4H14C19 A2B2C4D14E19 30.09 4.33 -9.98 -1.85 0
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390368 134998729 1 N2S2Si2O6C21H36 A2B2C2D6E21F36 -257.22 3.08 -9.62 -1.5 0
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390369 134998746 1 HO4C16F29 AB4C16D29 -1622.73 1.88 -12.67 -1.94 0
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390370 134998748 1 PN6O16C30H41 AB6C16D30E41 -698.47 9.95 -9.18 -1.07 0
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390371 134998750 1 ON3H11C14 AB3C11D14 62.78 5.11 -9.63 -1.37 0
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390372 134998762 1 O2N3C14H15 A2B3C14D15 -6.16 2.85 -9.83 -1.67 0
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390373 134998768 1 N3H15C16 A3B15C16 119.54 4.37 -9.27 -1.29 0
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390374 134998770 1 N3H15C16 A3B15C16 119.02 3.06 -9.06 -1.26 0
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390375 134998783 2 ClSH7N7C14 ABC7D7E14 395.28 2.84 -9.36 -2.15 0
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390376 134998786 2 OC5H7 AB5C7 -75.09 1.75 -9.76 0.74 0
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390377 134998814 1 N2O2S2C21H22 A2B2C2D21E22 21.1 4.16 -8.98 -1.26 0
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390378 134998828 1 SiO3C22H28 AB3C22D28 -131.38 2.5 -9.09 -0.02 0
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390379 134998829 1 NO3C19H21 AB3C19D21 -83.29 2.28 -8.05 0.25 0
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390380 134998833 2 NOC10H12 ABC10D12 9.23 5.24 -9.05 -0.13 0
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390381 134998835 1 BF2N4H13C20 AB2C4D13E20 -52.65 4.09 -9.25 -1.8 0
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390382 134998836 1 BF2N5H12C14 AB2C5D12E14 -77.69 4.27 -9.5 -1.5 0
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390384 134998859 1 NO2C23H29 AB2C23D29 -48.68 3.71 -9.17 0.29 0
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390385 134998867 1 O5C12H24 A5B12C24 -264.04 4.15 -10.26 1.4 0
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390386 134998880 1 O5C21H30 A5B21C30 -222.39 6.03 -9.62 0.23 0
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390387 134998895 1 NO3C22H25 AB3C22D25 -51.07 2.2 -9.37 0.12 0
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390388 134998903 1 NSO3C9H19 ABC3D9E19 -132.08 2.78 -10.26 0.23 0
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390389 134998904 1 NSO2C19H21 ABC2D19E21 -34.92 6.41 -9.29 -0.39 0
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390390 134998909 1 NS2O4C12H17 AB2C4D12E17 -119.04 4.33 -9.99 -0.41 0
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390391 134998911 1 NSF3H10C14 ABC3D10E14 -82.23 3.62 -8.71 -1.1 0
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390392 134998912 1 NSO2H13C15 ABC2D13E15 -3.76 2.22 -8.62 -1.09 0
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390393 134998919 1 NOSC19H25 ABCD19E25 -19.82 3.14 -8.38 0.01 0
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390394 134998921 1 NSO2C20H25 ABC2D20E25 -57.32 5.28 -9.45 -0.3 0
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390395 134998944 2 N4O7H14C20 A4B7C14D20 -185.88 3.05 -10.28 -1.99 0
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390396 134998958 1 SO2Se2H12C18 AB2C2D12E18 55.92 3.64 -7.76 -2.07 0
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390397 134998962 2 NO3C8H13 AB3C8D13 -295.2 3.94 -9.48 -0.25 0
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390398 134998963 1 NO3H19C22 AB3C19D22 -3.17 3.88 -8.59 -0.63 0
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390399 134998974 1 NO2C17H19 AB2C17D19 3.24 2.07 -8.24 -0.21 0
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390400 134998977 1 O4C17H24 A4B17C24 -181.3 1.6 -9.34 0.39 0
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390401 134998991 1 NO9C25H37 AB9C25D37 -412.86 0.73 -9.55 -0.35 0
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390402 134998994 1 SiO2S3Cl5C21H25 AB2C3D5E21F25 -107.04 2.73 -8.54 -1.16 0
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390403 134998995 1 ClNO4H18C23 ABC4D18E23 -99.14 1.75 -8.33 -1.41 0
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390404 134998999 1 SiO2C20H24 AB2C20D24 -54.51 3.06 -8.63 0.23 0
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390405 134999002 1 InBr2C3H3 AB2C3D3 14.77 3.03 -10.45 -1.97 0
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390406 134999011 1 NO2C15H17 AB2C15D17 -34.69 4.92 -8.4 0.0 0
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390407 134999013 1 NOC23H25 ABC23D25 11.93 1.16 -8.81 -0.01 0
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390408 134999014 1 O3N4C15H20 A3B4C15D20 -27.02 3.97 -9.12 -0.41 0
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390409 134999031 1 N6H14C19 A6B14C19 177.24 5.09 -8.27 -1.44 0
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390410 134999040 1 ON3C21H23 AB3C21D23 67.71 4.42 -8.65 -0.4 0
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390411 134999041 1 NO3H25C30 AB3C25D30 26.23 4.98 -9.03 -0.21 0
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390412 134999045 1 ON3C25H25 AB3C25D25 76.46 4.32 -8.61 -0.38 0
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390413 134999046 1 N2O3H30C31 A2B3C30D31 24.69 2.8 -9.22 -0.04 0
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390414 134999047 1 NSO2C20H23 ABC2D20E23 -39.96 6.16 -9.09 -0.32 0