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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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30423 841309 1 ClN2O3C17H17 AB2C3D17E17 -28.4 5.26 -9.24 -1.71 1
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30424 841310 1 N2O3C15H15 A2B3C15D15 -68.71 3.54 0.0 0.0 0
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30425 841311 1 FO2N3H16C17 AB2C3D16E17 -66.76 5.22 -8.85 -0.58 0
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30426 841312 1 OSCl2N2H10C13 ABC2D2E10F13 26.02 3.86 -9.34 -0.92 0
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30427 841321 1 ClOF2N2H9C13 ABC2D2E9F13 -94.37 5.91 -9.07 -0.66 0
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30428 841323 1 NOC19H33 ABC19D33 -101.38 3.54 -9.34 2.99 0
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30429 841326 1 SN3O3H9C16 AB3C3D9E16 19.95 2.27 -8.95 -1.52 0
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30430 841327 1 ON2Cl3H11C14 AB2C3D11E14 -23.34 3.99 -9.19 -0.78 0
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30431 841328 1 O2N4C19H20 A2B4C19D20 46.08 4.18 -8.88 -0.98 0
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30432 841329 1 ClSN2O2H13C14 ABC2D2E13F14 3.5 5.33 -8.5 -1.16 0
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30433 841330 1 O3N5C14H15 A3B5C14D15 39.64 3.08 -8.94 -1.53 0
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30434 841332 1 ON2Cl3H11C14 AB2C3D11E14 -24.8 3.45 -8.89 -0.84 0
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30435 841334 1 FO3N4H11C12 AB3C4D11E12 -37.13 4.1 -9.24 -1.66 0
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30436 841335 1 ON2C16H18 AB2C16D18 -20.56 2.61 -8.69 0.06 0
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30437 841336 1 FON3C13H14 ABC3D13E14 -41.88 5.64 -8.75 -0.25 0
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30438 841337 1 O4N5H13C16 A4B5C13D16 60.39 7.58 -9.75 -1.7 0
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30439 841338 1 NSO4C17H19 ABC4D17E19 -147.03 7.12 -8.68 -0.6 0
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30440 841339 1 OCl2N3H11C12 AB2C3D11E12 1.18 7.04 -9.0 -0.55 0
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30441 841341 1 NOSC14H15 ABCD14E15 -9.69 3.45 -9.1 -0.62 0
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30442 841342 1 ClN2O3C17H17 AB2C3D17E17 -48.81 5.67 -8.66 -0.75 0
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30443 841343 1 NOSC15H21 ABCD15E21 -40.97 4.24 -9.35 -0.56 0
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30444 841344 2 NOC8H12 ABC8D12 -65.18 4.62 -8.93 0.02 0
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30445 841345 1 ClFON3C13H13 ABCD3E13F13 -38.87 6.58 -9.28 -0.1 0
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30446 841346 1 NO3C18H21 AB3C18D21 -97.6 4.1 -8.68 -0.07 0
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30447 841347 1 N5O5C15H17 A5B5C15D17 -29.35 3.24 -8.33 -1.51 0
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30448 841348 1 ClON3C14H16 ABC3D14E16 -4.17 0.59 -8.91 -0.65 0
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30449 841349 1 FO2N4H15C18 AB2C4D15E18 -5.13 2.91 -8.74 -0.74 0
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30450 841350 1 N4O5H14C15 A4B5C14D15 -114.59 4.16 -8.92 -0.7 0
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30451 841351 1 Cl2O3N4H8C11 A2B3C4D8E11 6.36 7.03 -9.96 -1.27 0
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30452 841353 1 NSF3O3H12C15 ABC3D3E12F15 -239.74 3.66 -9.24 -1.3 0
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30453 841354 1 ClON5C17H22 ABC5D17E22 35.48 4.34 -7.91 -0.5 0
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30454 841355 1 ClO3N4C14H15 AB3C4D14E15 -19.48 6.17 -9.29 -0.97 0
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30455 841356 1 ClFOSN2H10C13 ABCDE2F10G13 -11.91 4.03 -9.33 -0.87 0
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30456 841358 1 FH7N8C9 AB7C8D9 141.04 4.2 -9.57 -1.06 0
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30457 841359 1 FNO2H12C13 ABC2D12E13 -95.85 5.83 -8.96 -0.33 0
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30458 841362 1 FON4H17C19 ABC4D17E19 22.96 1.16 -8.64 -0.7 0
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30459 841363 1 N3O3C16H17 A3B3C16D17 -63.72 1.96 -8.72 -0.43 0
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30460 841365 1 ClSN3O4H10C13 ABC3D4E10F13 1.56 8.52 -9.5 -1.51 0
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30461 841366 1 FN2O4C17H17 AB2C4D17E17 -107.76 8.7 -9.37 -1.52 0
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30462 841367 1 FN2O4C17H17 AB2C4D17E17 -106.76 9.88 -9.33 -1.51 0
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30463 841368 1 BrON4C13H13 ABC4D13E13 54.71 1.79 -8.86 -0.88 0
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30464 841369 1 Cl2N3O3H5C10 A2B3C3D5E10 22.89 3.79 -9.99 -1.98 0
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30465 841370 1 FOCl2N3H10C12 ABC2D3E10F12 -44.26 9.96 -8.93 -0.57 0
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30466 841371 1 N4O5C15H18 A4B5C15D18 -76.26 10.79 -8.6 -0.62 0
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30467 841372 1 N3O4C18H19 A3B4C18D19 -81.87 8.08 -8.71 -0.5 0
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30468 841374 1 NO3C18H21 AB3C18D21 -92.36 4.61 -8.43 0.05 0
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30469 841381 1 NO3C11H17 AB3C11D17 -148.76 6.73 -10.07 0.47 0
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30470 841382 1 N3O5C17H17 A3B5C17D17 -95.15 8.37 -9.2 -1.6 0
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30471 841387 1 ON5C11H11 AB5C11D11 76.09 10.02 -9.26 -0.7 0
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30472 841388 1 OSCl2N2C12H14 ABC2D2E12F14 -33.39 7.65 -8.6 -0.58 0
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30473 841389 1 OSCl2N2C12H14 ABC2D2E12F14 -34.09 7.36 -8.65 -0.55 0
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30474 841390 1 ClN2O3C18H19 AB2C3D18E19 -61.48 3.96 -8.85 -0.84 0
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30475 841391 1 ClN2O3C18H19 AB2C3D18E19 -60.7 2.42 -8.92 -0.77 0
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30476 841392 1 FN2O4H15C16 AB2C4D15E16 -96.13 7.83 -9.33 -1.54 0
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30477 841393 1 FN2O4H15C16 AB2C4D15E16 -95.83 9.29 -9.43 -1.52 0
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30478 841394 1 BrO3N4H7C10 AB3C4D7E10 25.79 1.81 -9.38 -2.1 0
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30479 841395 1 O2N3H19C21 A2B3C19D21 22.06 3.25 -8.48 -0.67 0
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30480 841396 4 NOC4H4 ABC4D4 -22.57 1.97 -9.12 -1.19 0
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30481 841397 1 NSO3C17H19 ABC3D17E19 -107.55 5.84 -8.76 -0.62 0
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30482 841398 1 ClN3O3H12C14 AB3C3D12E14 -11.54 9.17 -8.92 -1.41 0
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30483 841401 1 SN2O2C14H16 AB2C2D14E16 -44.12 4.94 -8.79 -0.77 0
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30484 841402 1 SN2O6C14H14 AB2C6D14E14 -117.19 8.52 -9.28 -1.22 0
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30485 841403 1 ON3C16H19 AB3C16D19 10.31 1.49 -8.52 0.0 0
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30486 841404 1 NO2C17H23 AB2C17D23 -66.79 2.41 -8.63 0.1 0
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30487 841405 1 OF3N3C14H14 AB3C3D14E14 -142.38 3.61 -9.17 -0.49 0
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30488 841406 1 NSO3C17H25 ABC3D17E25 -146.09 5.33 -8.94 -0.52 0
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30489 841407 1 O2N4C19H26 A2B4C19D26 -13.43 6.93 -8.56 -0.31 0
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30490 841409 1 ON2S2C14H14 AB2C2D14E14 41.55 5.67 -8.37 -1.05 0
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30491 841410 1 NO2C17H23 AB2C17D23 -65.61 1.02 -8.81 0.01 0
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30492 841411 1 ClN3O3C16H16 AB3C3D16E16 -69.06 1.72 -9.04 -0.4 0
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30493 841412 1 ON3C15H19 AB3C15D19 -6.02 2.69 -8.48 -0.18 0
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30494 841413 1 O4N5C11H11 A4B5C11D11 -5.34 4.5 -10.19 -1.68 0
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30495 841414 1 FN2O2C17H17 AB2C2D17E17 -55.55 5.76 -8.63 -0.69 0
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30496 841415 1 OSN3C15H19 ABC3D15E19 -14.16 5.36 -8.47 -0.31 0
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30497 841416 1 ClN2O2H13C14 AB2C2D13E14 -45.79 2.09 -8.36 -0.69 0
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30498 841417 1 Cl2O3N4H10C12 A2B3C4D10E12 0.83 6.96 -9.52 -1.52 0
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30499 841418 1 OSN3C16H21 ABC3D16E21 -20.6 5.46 -8.45 -0.3 0
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30500 841419 1 O3N4C17H18 A3B4C17D18 -42.31 3.99 -9.63 -0.33 0
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30501 841420 1 ClN2O3C17H17 AB2C3D17E17 -29.66 5.58 -9.22 -1.7 0
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30502 841421 1 ClN2O3C17H17 AB2C3D17E17 -29.67 5.51 -9.23 -1.73 0
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30503 841422 1 NOC19H23 ABC19D23 -32.97 4.81 -9.13 0.0 0
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30504 841426 1 NO4C20H23 AB4C20D23 -151.94 3.26 -9.23 -0.63 0
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30505 841427 1 OSN2C14H14 ABC2D14E14 33.92 4.81 -8.81 -0.95 0
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30506 841428 1 ClN2O3C18H19 AB2C3D18E19 -58.38 5.57 -8.34 -0.84 0
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30507 841430 1 ClO3N5H12C13 AB3C5D12E13 45.47 4.06 -9.62 -1.58 0
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30508 841431 1 OSN2C14H20 ABC2D14E20 -30.07 7.37 -8.36 -0.32 0
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30509 841432 1 SN5C10H11 AB5C10D11 110.0 11.1 -9.19 -1.0 0
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30510 841433 1 NO4C12H13 AB4C12D13 -109.78 5.66 -9.09 -0.72 0
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30511 841435 1 ON2S2C14H14 AB2C2D14E14 14.73 4.01 -8.76 -1.38 0
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30512 841436 1 FON4C13H13 ABC4D13E13 1.36 2.32 -8.72 -0.71 0
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30513 841437 1 N2S2O4C11H16 A2B2C4D11E16 -139.83 0.95 -10.15 -1.31 0
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30514 841438 1 ION3C12H12 ABC3D12E12 40.61 2.61 -9.6 -1.07 0
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30515 841439 1 OSN2C16H18 ABC2D16E18 14.13 4.32 -8.7 -0.82 0
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30516 841440 2 NSO2C6H9 ABC2D6E9 -141.85 2.75 -9.57 -1.33 0
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30517 841441 1 NO3C15H23 AB3C15D23 -182.58 8.73 -10.21 0.56 0
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30518 841442 1 NO3C18H23 AB3C18D23 -129.25 7.47 -9.23 -0.02 0
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30519 841443 1 BrON3C13H14 ABC3D13E14 16.55 4.69 -9.57 -0.57 0
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30520 841444 1 NO3C18H23 AB3C18D23 -129.02 8.31 -9.76 -0.09 0
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30521 841445 1 NO3C18H23 AB3C18D23 -129.57 6.37 -9.54 -0.02 0
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30522 841446 1 O4N5C14H15 A4B5C14D15 8.85 3.15 -8.69 -1.54 0