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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85425 49875016 1 OSCl2N2C17H20 ABC2D2E17F20 -44.92 4.99 -8.35 -0.69 0
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85426 49875027 1 N2S2F3O3H11C15 A2B2C3D3E11F15 -184.54 2.05 -8.89 -1.55 0
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85427 49875028 1 Br2O2N3C9H9 A2B2C3D9E9 -45.7 3.93 -10.01 -1.58 0
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85428 49875031 1 SCl2O3N5C19H25 AB2C3D5E19F25 -100.07 12.47 -8.18 -1.82 0
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85429 49875033 1 ClSN3O5H16C17 ABC3D5E16F17 -6.53 7.09 -9.16 -2.23 0
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85430 49875053 1 S2N4H22C29 A2B4C22D29 216.09 6.92 -8.82 -0.98 0
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85431 49875054 1 ClSN2O3C18H25 ABC2D3E18F25 -88.24 2.81 -9.21 -0.66 0
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85432 49875064 1 SCl2N2O3H4C11 AB2C2D3E4F11 36.11 3.76 -10.05 -2.04 0
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85433 49875065 1 ClNSH2O3C5 ABCD2E3F5 -3.48 5.16 -10.42 -2.21 0
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85434 49875066 1 ClSN2O3H5C6 ABC2D3E5F6 15.48 4.79 -9.82 -1.95 0
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85435 49875092 1 ClS2O5N6C23H25 AB2C5D6E23F25 -83.45 1.77 -8.9 -1.43 0
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85436 49875096 1 S2O6C13H22 A2B6C13D22 -279.14 3.75 -9.16 -0.59 0
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85437 49875098 1 NSCl2O4H13C16 ABC2D4E13F16 -143.9 4.33 -9.28 -1.2 0
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85438 49875124 1 ClN2O4H13C17 AB2C4D13E17 -129.77 4.61 -9.37 -0.9 1
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85439 49875128 1 N3O3H8C9 A3B3C8D9 -27.6 6.95 0.0 0.0 0
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85440 49875143 1 ClN3S3O5H12C19 AB3C3D5E12F19 -69.19 5.72 -8.58 -2.34 0
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85441 49875144 1 FNO5H10C15 ABC5D10E15 -107.6 2.27 -9.25 -1.19 0
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85442 49875160 2 NC6H7 AB6C7 43.51 3.5 -9.08 -0.26 0
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85443 49875188 1 S2N3O5H19C27 A2B3C5D19E27 -49.21 4.81 -8.87 -1.94 0
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85444 49875250 1 ClS2N3O4H16C21 AB2C3D4E16F21 -42.38 4.04 -9.13 -2.01 0
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85445 49875251 1 N2O2C9H12 A2B2C9D12 -62.3 4.01 -9.25 -0.31 0
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85446 49875255 1 ON2H10C11 AB2C10D11 11.72 3.65 -10.4 -1.15 0
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85447 49875299 1 NSO3C9H9 ABC3D9E9 -87.26 3.1 -8.98 -1.23 0
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85448 49875301 1 ClNSO4H12C14 ABCD4E12F14 -122.4 3.46 -8.96 -0.86 0
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85449 49875308 1 SO4C10H10 AB4C10D10 -112.4 3.89 -9.3 -1.25 0
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85450 49875314 1 NSO5C12H13 ABC5D12E13 -176.35 3.37 -8.99 -1.3 0
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85451 49875357 1 ClSO2N4H7C11 ABC2D4E7F11 -10.02 8.0 -9.67 -1.13 0
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85452 49875359 1 INS2H10C14 ABC2D10E14 95.18 2.36 -8.68 -1.19 0
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85453 49875381 1 FN2S2O5H11C15 AB2C2D5E11F15 -167.38 1.77 -10.16 -2.02 0
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85454 49875383 1 FN2S2O5H15C18 AB2C2D5E15F18 -151.46 2.93 -10.05 -2.03 0
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85455 49875385 1 FNS2O5H14C17 ABC2D5E14F17 -176.83 4.77 -9.98 -1.96 0
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85456 49875392 1 ClNS2O4H8C12 ABC2D4E8F12 -108.21 4.89 -10.17 -2.16 0
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85457 49875404 1 N2O3H10C12 A2B3C10D12 -55.92 5.02 -10.61 -1.33 0
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85458 49875405 1 ON2H8C10 AB2C8D10 24.4 6.8 -10.42 -1.2 0
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85459 49875407 1 N2O5C19H22 A2B5C19D22 -103.6 2.5 -8.41 -0.02 0
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85460 49875411 1 OH3C5N5 AB3C5D5 81.96 0.79 -10.7 -1.8 0
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85461 49875424 1 S2N5O6C10H11 A2B5C6D10E11 -131.3 4.45 -10.09 -2.06 0
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85462 49875427 1 S2O4N7H25C33 A2B4C7D25E33 86.41 5.01 -9.23 -2.02 0
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85463 49875446 1 SN4H20C25 AB4C20D25 190.78 3.5 -9.04 -0.39 0
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85464 49875447 1 BrSN4H19C25 ABC4D19E25 199.03 4.09 -9.26 -0.55 0
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85465 49875449 1 S3O4N7H25C32 A3B4C7D25E32 93.54 3.27 -9.1 -1.55 0
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85466 49875450 1 S3O4N7H11C13 A3B4C7D11E13 6.69 5.7 -9.19 -1.74 0
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85467 49875452 2 NO2H12C13 AB2C12D13 11.64 4.15 -8.36 -0.38 0
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85468 49875487 1 N2O3C16H18 A2B3C16D18 -110.03 13.19 -8.85 -0.76 0
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85469 49875505 2 NOSH2C3 ABCD2E3 -8.2 4.56 -9.37 -2.12 0
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85470 49875508 1 OSN3H13C15 ABC3D13E15 37.23 7.25 -8.91 -0.64 0
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85471 49875519 1 N2O3C21H24 A2B3C21D24 -83.83 2.06 -9.42 0.04 0
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85472 49875572 2 N2S2O3H10C14 A2B2C3D10E14 -66.51 3.02 -9.33 -2.23 0
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85473 49875590 1 SN3O4C13H13 AB3C4D13E13 -111.76 6.78 -8.56 -0.94 0
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85474 49875599 1 BrNO4C8H8 ABC4D8E8 -73.07 5.36 -10.01 -1.38 0
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85475 49875602 1 ON4H10C11 AB4C10D11 61.65 7.84 -9.03 -1.52 0
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85476 49875606 1 ON6H14C17 AB6C14D17 137.68 7.03 -8.9 -1.63 0
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85477 49875678 4 NO2C10H12 AB2C10D12 -290.24 6.93 -7.41 -1.3 0
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85478 49875689 1 N3H27C29 A3B27C29 100.9 2.19 -7.97 -0.71 0
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85479 49875722 1 OSN3H19C22 ABC3D19E22 66.88 5.39 -8.42 -1.11 0
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85480 49875723 1 Br2O3N4H26C29 A2B3C4D26E29 16.16 7.8 -8.62 -0.65 0
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85481 49875728 1 ON5H17C19 AB5C17D19 111.5 1.31 -8.43 -0.83 0
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85482 49875734 1 BrN3O5H12C16 AB3C5D12E16 -20.24 9.59 -9.32 -1.88 0
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85483 49875736 1 BrN3O5H12C16 AB3C5D12E16 -25.09 13.43 -9.08 -1.75 0
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85484 49875754 1 Cl2O2N3C20H21 A2B2C3D20E21 -44.33 7.01 -8.44 -1.52 0
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85485 49875777 1 O3C19H24 A3B19C24 -139.59 7.06 -9.33 -0.63 0
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85486 49875811 1 SN4C17H18 AB4C17D18 94.62 3.45 -8.59 -0.83 0
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85487 49875812 1 NO2C14H15 AB2C14D15 1.29 2.53 -10.26 0.06 0
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85488 49875832 1 BrN2O4H19C24 AB2C4D19E24 -40.32 3.44 -9.13 -0.71 0
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85489 49875975 1 ON2F3C21H23 AB2C3D21E23 -176.83 8.21 -8.81 -0.49 0
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85490 49875989 1 BrON2C15H15 ABC2D15E15 -8.86 3.42 -9.12 -0.48 -1
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85491 49876018 1 FNOCl2C8H9 ABCD2E8F9 -44.93 3.41 0.0 0.0 -1
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85492 49876041 1 ClNOC16H23 ABCD16E23 -13.38 1.41 0.0 0.0 -1
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85493 49876054 1 ClNOC11H17 ABCD11E17 -50.31 2.72 0.0 0.0 -1
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85494 49876056 1 ClNOC10H15 ABCD10E15 -10.35 2.72 0.0 0.0 -1
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85495 49876057 1 ClNOC10H15 ABCD10E15 -40.8 2.13 0.0 0.0 -1
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85496 49876058 1 ClNOC4H11 ABCD4E11 -74.04 0.91 0.0 0.0 0
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85497 49876078 1 BrFSO2N4C23H24 ABCD2E4F23G24 -50.54 5.27 -9.19 -0.9 0
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85498 49876079 1 SN2O2C13H14 AB2C2D13E14 -18.55 2.99 -9.19 -0.72 0
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85499 49876093 1 ClN4O4H15C16 AB4C4D15E16 -10.18 7.13 -8.54 -2.1 -1
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85500 49876101 1 BrClSN2C8H9 ABCD2E8F9 18.4 1.98 0.0 0.0 -1
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85501 49876116 1 BrNCl2H13C21 ABC2D13E21 114.22 4.41 0.0 0.0 -1
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85502 49876117 1 ClNSO2H19C24 ABCD2E19F24 11.69 3.73 0.0 0.0 -1
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85503 49876126 1 ClN2O4H16C19 AB2C4D16E19 32.72 5.18 0.0 0.0 -1
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85504 49876186 1 ClOSN2H22C25 ABCD2E22F25 58.12 4.96 0.0 0.0 -1
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85505 49876187 1 NO2Cl3H15C19 AB2C3D15E19 26.18 2.9 0.0 0.0 -1
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85506 49876188 1 N2Cl3H14C21 A2B3C14D21 104.96 4.46 0.0 0.0 -1
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85507 49876189 1 ClSN2O2C28H28 ABC2D2E28F28 2.6 4.44 0.0 0.0 -1
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85508 49876220 1 FNO2Cl3H16C23 ABC2D3E16F23 -19.32 6.49 0.0 0.0 -1
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85509 49876224 1 NCl4H14C22 AB4C14D22 57.8 2.11 0.0 0.0 -1
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85510 49876227 1 ClNOSH19C23 ABCDE19F23 61.55 4.98 0.0 0.0 -1
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85511 49876253 1 FNCl5H10C21 ABC5D10E21 13.56 2.63 0.0 0.0 -1
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85512 49876270 1 ClN2O3H14C21 AB2C3D14E21 86.03 1.26 0.0 0.0 -1
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85513 49876280 1 FNCl2H15C22 ABC2D15E22 62.48 3.65 0.0 0.0 0
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85514 49876281 2 SN2O2H6C8 AB2C2D6E8 21.56 9.07 -9.4 -1.32 0
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85515 49876283 1 ClSO2N4H15C17 ABC2D4E15F17 58.37 2.41 -8.72 -1.67 0
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85516 49876286 1 OSBr2N4H12C16 ABC2D4E12F16 100.24 6.44 -9.03 -1.73 -1
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85517 49876294 1 ClN4H20C22 AB4C20D22 127.39 4.02 0.0 0.0 -1
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85518 49876309 1 ClO2N4H18C20 AB2C4D18E20 67.1 3.5 0.0 0.0 -1
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85519 49876331 1 OCl2N3C17H22 AB2C3D17E22 30.11 2.47 0.0 0.0 -1
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85520 49876333 1 ClSN4O4C31H34 ABC4D4E31F34 0.7 11.45 0.0 0.0 -1
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85521 49876346 1 ClSF3N3O4H24C25 ABC3D3E4F24G25 -174.81 5.96 0.0 0.0 -1
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85522 49876355 1 ClNO3H9C11 ABC3D9E11 -40.84 7.05 0.0 0.0 -1
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85523 49876363 1 ClNOC21H25 ABCD21E25 19.92 2.55 0.0 0.0 -1
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85524 49876366 1 BrClON3C18H20 ABCD3E18F20 53.24 5.99 0.0 0.0 -1