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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39353 8140447 1 N2O2C22H27 A2B2C22D27 -21.06 4.5 0.0 0.0 0
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39354 8140456 1 SN3O3C23H25 AB3C3D23E25 -47.47 9.9 -8.92 -0.79 1
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39355 8140457 1 ON4C24H31 AB4C24D31 31.72 4.31 0.0 0.0 1
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39356 8140469 1 FSN3O3C19H25 ABC3D3E19F25 -100.65 3.61 0.0 0.0 1
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39357 8140471 1 SO2N3C19H22 AB2C3D19E22 16.22 2.98 0.0 0.0 0
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39358 8140476 1 BrON2C19H21 ABC2D19E21 18.98 4.58 -8.95 -0.76 1
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39359 8140477 1 N2O3C20H27 A2B3C20D27 -61.16 5.17 0.0 0.0 1
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39360 8140481 1 SN3O3C23H32 AB3C3D23E32 -72.06 4.2 0.0 0.0 0
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39361 8140482 1 SN3O3C23H31 AB3C3D23E31 -96.34 2.11 -9.05 -0.64 0
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39362 8140488 1 N3O4C23H27 A3B4C23D27 -111.62 3.9 -9.07 -1.76 1
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39363 8140491 1 N2O2C21H27 A2B2C21D27 -12.13 0.87 0.0 0.0 0
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39364 8140492 1 N2O2C21H26 A2B2C21D26 -32.54 4.05 -8.76 -0.43 1
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39365 8140493 1 ClSN3O3C19H25 ABC3D3E19F25 -72.55 5.99 0.0 0.0 0
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39366 8140498 1 SO2N3C21H27 AB2C3D21E27 -53.72 3.75 -8.65 -0.44 0
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39367 8140500 1 O3N4C18H22 A3B4C18D22 -10.23 10.69 -9.04 -1.0 1
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39368 8140501 1 OCl2N2C19H21 AB2C2D19E21 17.96 3.55 0.0 0.0 0
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39369 8140502 1 OCl2N2C19H20 AB2C2D19E20 -0.93 3.95 -9.18 -0.76 0
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39370 8140504 1 BrFON2C19H20 ABCD2E19F20 -29.05 5.28 -9.21 -0.73 1
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39371 8140505 1 O2N3C24H36 A2B3C24D36 -84.17 3.75 0.0 0.0 1
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39372 8140507 1 SO3N4C19H23 AB3C4D19E23 -14.29 5.95 0.0 0.0 0
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39373 8140510 1 SO3N4C20H24 AB3C4D20E24 -47.98 7.12 -8.94 -1.2 0
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39374 8140514 1 N2O3C19H24 A2B3C19D24 -74.63 5.26 -8.54 -0.47 1
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39375 8140515 1 SN3O3C22H32 AB3C3D22E32 -78.7 2.29 0.0 0.0 0
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39376 8140516 1 SN3O3C22H31 AB3C3D22E31 -92.67 7.35 -8.84 -0.64 0
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39377 8140520 1 OF3N4C22H27 AB3C4D22E27 -162.45 8.75 -8.7 -0.25 1
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39378 8140529 1 FSN3O4C18H23 ABC3D4E18F23 -109.55 3.77 0.0 0.0 0
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39379 8140540 1 O3N4C22H28 A3B4C22D28 -6.95 3.11 -9.01 -0.73 0
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39380 8140552 1 OSN5C22H27 ABC5D22E27 41.89 7.74 -8.86 -0.58 0
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39381 8140554 1 ON2C21H28 AB2C21D28 -22.87 5.53 -9.08 0.07 1
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39382 8140565 1 OSN2C19H27 ABC2D19E27 -1.65 1.79 0.0 0.0 1
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39383 8140567 1 F2N2O3C20H25 A2B2C3D20E25 -170.08 5.32 0.0 0.0 1
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39384 8140585 1 SN2O3C19H25 AB2C3D19E25 -74.16 4.84 0.0 0.0 0
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39385 8140594 1 SN3O3C21H27 AB3C3D21E27 -82.61 5.16 -8.44 -0.31 1
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39386 8140595 1 SN3O4C21H28 AB3C4D21E28 -100.37 5.77 0.0 0.0 1
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39387 8140597 1 O2N3C20H24 A2B3C20D24 5.86 5.92 0.0 0.0 0
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39388 8140600 1 SO2N3C22H29 AB2C3D22E29 -60.1 3.44 -8.48 0.0 0
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39389 8140602 1 SO2N3C22H29 AB2C3D22E29 -57.93 8.65 -8.4 -0.18 0
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39390 8140623 1 SN2O6C20H24 AB2C6D20E24 -204.05 6.15 -9.3 -1.51 0
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39391 8140628 1 O3N4C18H20 A3B4C18D20 -80.66 2.79 -8.6 -0.26 0
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39392 8140630 1 N3O3C18H23 A3B3C18D23 -108.09 0.95 -9.71 -0.37 0
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39393 8140636 1 FN3O3C16H18 AB3C3D16E18 -144.95 2.67 -9.79 -0.42 0
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39394 8140644 1 O3N4C16H16 A3B4C16D16 -55.45 5.76 -10.22 -1.25 0
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39395 8140651 1 N3O6C20H27 A3B6C20D27 -216.94 1.07 -8.74 -0.32 0
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39396 8140653 1 ClSN3O3H16C17 ABC3D3E16F17 -77.21 0.85 -8.97 -1.31 0
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39397 8140654 1 N3O4C17H21 A3B4C17D21 -133.75 3.01 -9.09 -0.44 0
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39398 8140656 1 BrN3O3C16H18 AB3C3D16E18 -93.33 4.06 -9.52 -0.53 0
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39399 8140664 1 ClN3O4C17H20 AB3C4D17E20 -144.54 3.54 -9.19 -0.5 0
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39400 8140665 1 ClN3O4C17H20 AB3C4D17E20 -143.75 2.81 -9.17 -0.5 0
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39401 8140668 1 ClN3O4C16H18 AB3C4D16E18 -133.32 1.32 -9.3 -0.47 0
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39402 8140672 1 FN3O4C16H18 AB3C4D16E18 -173.36 5.99 -9.64 -0.66 0
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39403 8140676 1 N3O5C18H23 A3B5C18D23 -169.27 0.82 -8.69 -0.33 0
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39404 8140682 1 O3N4C19H22 A3B4C19D22 -84.47 2.66 -8.55 -0.31 0
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39405 8140684 1 N3O5C23H25 A3B5C23D25 -136.44 2.57 -8.74 -0.61 0
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39406 8140689 2 N2O3C9H10 A2B3C9D10 -193.22 4.59 -9.1 -0.56 0
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39407 8140691 1 N3O5C17H19 A3B5C17D19 -157.77 3.67 -9.01 -0.61 0
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39408 8140693 1 ClN4O4C18H21 AB4C4D18E21 -146.31 4.45 -9.93 -0.76 0
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39409 8140694 1 N3O4C18H23 A3B4C18D23 -140.65 2.22 -9.17 -0.43 0
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39410 8140696 1 N4O5C21H24 A4B5C21D24 -124.71 2.54 -9.36 -0.41 0
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39411 8140698 1 N3O4C17H17 A3B4C17D17 -99.3 1.11 -9.54 -1.02 0
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39412 8140699 1 N3O4C19H25 A3B4C19D25 -147.3 2.56 -9.24 -0.38 0
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39413 8140700 1 N3O5C20H27 A3B5C20D27 -182.28 1.8 -8.68 -0.46 0
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39414 8140701 1 F2N3O5C17H19 A2B3C5D17E19 -272.63 4.73 -9.36 -0.81 0
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39415 8140708 1 N3O4C17H21 A3B4C17D21 -135.0 2.29 -8.93 -0.4 0
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39416 8140711 1 N3O4C19H21 A3B4C19D21 -121.74 1.86 -8.94 -0.38 0
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39417 8140720 1 ClSN3O3C17H20 ABC3D3E17F20 -109.92 2.82 -9.31 -0.71 0
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39418 8140724 1 SN3O3C18H25 AB3C3D18E25 -117.62 1.49 -9.25 -0.82 0
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39419 8140726 1 SN3O3C18H23 AB3C3D18E23 -110.09 2.65 -8.95 -0.41 0
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39420 8140729 1 F3N3O4C16H16 A3B3C4D16E16 -290.77 3.93 -10.0 -1.01 0
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39421 8140733 1 FSN3O4H18C20 ABC3D4E18F20 -119.6 3.46 -8.26 -0.79 0
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39422 8140734 1 SN3O5H17C18 AB3C5D17E18 -103.75 2.77 -8.12 -0.68 0
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39423 8140737 1 SN2O4H18C19 AB2C4D18E19 -83.57 4.76 -8.24 -0.93 0
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39424 8140740 1 N2O2S2C17H20 A2B2C2D17E20 -36.11 1.42 -9.11 -0.85 0
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39425 8140741 1 SN2O2F3C19H19 AB2C2D3E19F19 -188.66 3.46 -9.25 -0.97 0
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39426 8140742 1 SN2O5C21H26 AB2C5D21E26 -145.65 2.5 -8.89 -0.61 0
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39427 8140757 1 FN4O5H13C17 AB4C5D13E17 -98.56 6.25 -10.46 -1.66 0
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39428 8140760 5 NOH3C4 ABC3D4 -20.57 6.2 -9.82 -1.6 0
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39429 8140763 1 N4O5H14C17 A4B5C14D17 -49.03 7.02 -10.26 -1.58 0
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39430 8140765 2 N2O3H8C9 A2B3C8D9 -90.33 4.01 -9.42 -1.64 0
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39431 8140766 2 N2O3H8C9 A2B3C8D9 -89.21 7.86 -9.34 -1.55 0
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39432 8140769 1 N4O6H18C19 A4B6C18D19 -98.58 8.12 -9.42 -1.49 0
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39433 8140783 1 N4O5H16C18 A4B5C16D18 -57.84 4.73 -9.89 -1.64 0
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39434 8140785 1 N4O6H18C19 A4B6C18D19 -95.49 4.03 -9.29 -1.75 0
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39435 8140786 1 OSN5C19H25 ABC5D19E25 35.91 4.3 -8.02 -0.66 0
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39436 8140787 1 N4O6H18C19 A4B6C18D19 -93.87 4.66 -9.45 -1.71 0
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39437 8140788 1 OSN5C16H21 ABC5D16E21 44.38 6.58 -7.79 -0.57 0
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39438 8140791 1 N4O6H18C19 A4B6C18D19 -99.76 4.04 -9.34 -1.66 0
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39439 8140795 2 N2O3C10H10 A2B3C10D10 -108.74 4.57 -9.25 -1.7 0
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39440 8140797 2 N2O3C10H10 A2B3C10D10 -105.49 5.06 -9.02 -1.65 0
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39441 8140799 2 N2O3C10H10 A2B3C10D10 -104.61 6.3 -9.01 -1.63 0
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39442 8140801 2 N2O3C10H10 A2B3C10D10 -101.65 5.19 -9.3 -1.65 0
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39443 8140806 2 N2O3C10H10 A2B3C10D10 -107.33 6.5 -9.37 -1.68 0
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39444 8140814 1 N4O6H18C19 A4B6C18D19 -97.15 7.19 -9.13 -1.6 0
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39445 8140815 1 SO2N5C19H25 AB2C5D19E25 -0.29 3.42 -8.19 -0.64 0
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39446 8140828 2 N2O3C10H10 A2B3C10D10 -106.04 4.6 -9.28 -1.68 0
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39447 8140841 1 SO3N4C21H22 AB3C4D21E22 -3.22 4.66 -8.45 -0.71 0
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39448 8140843 1 FN4O5H15C18 AB4C5D15E18 -106.13 5.55 -10.02 -1.63 0
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39449 8140845 1 N4O5C14H14 A4B5C14D14 -63.55 6.03 -10.4 -1.61 0
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39450 8140847 1 BrN2O2C17H17 AB2C2D17E17 -52.75 4.41 -8.85 -1.01 0
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39451 8140848 1 OSN4C21H24 ABC4D21E24 54.18 7.31 -8.47 -0.48 0
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39452 8140849 1 N2O3H20C21 A2B3C20D21 -80.52 5.6 -9.08 -1.19 0