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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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146366 53676825 1 NPO5C10H12 ABC5D10E12 -229.74 4.32 -9.32 -0.72 0
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146367 53677151 1 ON2C14H18 AB2C14D18 12.68 2.94 -9.67 0.04 0
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146368 53677356 1 BrON4H17C24 ABC4D17E24 82.52 3.1 -8.44 -1.06 0
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146369 53677357 1 O3N4C25H26 A3B4C25D26 -31.13 3.18 -8.96 -0.8 0
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146370 53677358 1 NSO5C14H19 ABC5D14E19 -200.99 3.74 -9.73 -0.53 0
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146371 53677359 1 N2F3O4C39H51 A2B3C4D39E51 -314.27 10.56 -9.0 -1.47 0
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146372 53677360 1 SN3O7C23H23 AB3C7D23E23 -156.37 7.92 -9.65 -1.6 0
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146373 53677361 1 PSN2Cl3O7C21H24 ABC2D3E7F21G24 -327.86 5.71 -9.36 -0.7 0
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146374 53677398 2 NOC8H12 ABC8D12 -84.02 3.31 -8.58 0.32 0
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146375 53677534 1 SO6N7C30H35 AB6C7D30E35 -123.83 9.79 -8.5 -0.73 0
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146376 53677535 1 Cl2S2N5O5H13C15 A2B2C5D5E13F15 -75.78 6.08 -8.98 -1.19 0
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146377 53677982 2 NO2C6H7 AB2C6D7 -102.05 2.42 -9.09 -0.43 0
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146378 53678128 1 SO3C16H18 AB3C16D18 -90.82 2.7 -8.78 -0.28 0
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146379 53678614 1 ON2F3H13C14 AB2C3D13E14 -145.9 5.11 -10.15 -0.39 0
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146380 53678956 2 NO2C15H26 AB2C15D26 -218.26 7.03 -8.44 0.65 0
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146381 53678957 1 O3N4C19H22 A3B4C19D22 -52.15 2.0 -9.18 -0.66 0
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146382 53679289 2 OC7H14 AB7C14 -152.86 1.71 -10.56 0.92 0
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146383 53679564 2 NSiC6H10 ABC6D10 19.12 1.56 -8.92 -0.35 0
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146384 53679612 1 O5C25H42 A5B25C42 -241.24 6.94 -9.87 0.71 0
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146385 53679634 1 ClC14H19 AB14C19 -16.15 2.47 -9.41 0.03 0
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146386 53679747 1 BrNOH8C9 ABCD8E9 -5.18 0.97 -9.35 -0.64 0
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146387 53679748 1 ClN2O3H21C25 AB2C3D21E25 -10.87 4.55 -8.63 -1.02 0
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146388 53679790 1 Si3O4C6H18 A3B4C6D18 -322.75 6.34 -9.05 -0.65 0
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146389 53679879 2 O2C13H15 A2B13C15 -165.86 2.33 -8.88 0.23 0
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146390 53680929 1 NO6C16H17 AB6C16D17 -226.54 4.91 -8.62 -0.64 0
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146391 53680957 1 SN2O3C9H14 AB2C3D9E14 -115.29 6.13 -9.17 0.15 0
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146392 53681178 1 Cl2O9N11C55H81 A2B9C11D55E81 -228.44 4.12 -8.5 -0.65 0
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146393 53681236 1 FN2H5C7 AB2C5D7 55.59 2.77 -9.7 -0.91 0
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146394 53681322 1 BrN2O4C34H49 AB2C4D34E49 -206.04 3.88 -8.56 -0.27 0
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146395 53681323 1 NOC15H25 ABC15D25 -44.31 1.06 -8.0 0.58 0
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146396 53681324 1 NSO2C15H25 ABC2D15E25 -88.69 5.17 -9.49 -0.53 0
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146397 53681325 1 SF3N6O6C20H23 AB3C6D6E20F23 -319.1 9.57 -9.19 -1.41 0
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146398 53681773 1 ClON2C11H15 ABC2D11E15 -27.63 5.18 -9.01 -0.28 0
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146399 53682225 1 NO4C17H25 AB4C17D25 -135.9 2.67 -8.61 -0.06 0
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146400 53682510 1 N5O6C13H21 A5B6C13D21 -236.38 7.48 -9.73 0.04 0
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146401 53683118 1 ClN2S2F3O5C18H18 AB2C2D3E5F18G18 -335.1 8.78 -8.73 -1.5 0
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146402 53683274 1 NO3C12H15 AB3C12D15 -110.4 3.32 -9.76 -0.15 0
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146403 53683971 1 BrN2O5C25H25 AB2C5D25E25 -114.79 7.61 -8.87 -0.66 0
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146404 53684111 1 FSN3O6C28H30 ABC3D6E28F30 -211.74 4.84 -8.48 -0.61 0
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146405 53684284 1 ClO3H11C16 AB3C11D16 -60.01 4.7 -9.86 -1.32 0
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146406 53684975 1 SO3N5C31H41 AB3C5D31E41 -61.84 5.73 -8.63 -0.51 0
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146407 53684979 1 SO4C19H24 AB4C19D24 -131.67 5.33 -9.12 -0.68 0
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146408 53684980 1 N2O4C29H56 A2B4C29D56 -300.67 3.33 -9.9 -0.08 0
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146409 53684981 1 ClN2O2H11C13 AB2C2D11E13 4.58 2.94 -9.97 -1.02 1
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146410 53684982 1 N7H16C18 A7B16C18 273.55 10.35 0.0 0.0 0
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146411 53685127 1 N4O7C30H36 A4B7C30D36 -265.44 1.47 -9.59 -0.24 0
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146412 53685386 2 OC12H16 AB12C16 -83.65 6.88 -9.0 -0.73 0
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146413 53686026 1 NSO6C15H19 ABC6D15E19 -200.68 6.25 -8.98 -0.77 0
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146414 53686299 1 SCl2O2N4H6C13 AB2C2D4E6F13 96.27 3.57 -9.85 -2.27 0
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146415 53686383 1 O5N8C18H28 A5B8C18D28 -153.8 4.73 -9.24 -0.61 0
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146416 53687018 1 ON3H17C19 AB3C17D19 40.81 1.79 -8.5 -0.6 0
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146417 53687427 1 N3O4C20H31 A3B4C20D31 -175.59 4.27 -9.07 -0.25 0
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146418 53687428 1 N3O5C15H29 A3B5C15D29 -271.06 5.71 -10.06 0.08 0
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146419 53687537 2 N2C8H19 A2B8C19 -54.98 4.07 -8.69 3.11 0
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146420 53687538 1 NO3F6H11C14 AB3C6D11E14 -428.75 7.0 -9.67 -1.22 0
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146421 53687539 1 N2O4C5H6 A2B4C5D6 10.16 4.94 -11.05 -1.72 0
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146422 53687540 1 NOC9H13 ABC9D13 -9.17 1.71 -9.8 0.2 0
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146423 53687541 1 O31H32C51 A31B32C51 -1134.03 9.14 -10.59 -2.56 0
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146424 53687542 1 SN8C25H36 AB8C25D36 149.67 1.71 -8.88 -0.8 0
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146425 53687543 1 SN3O3C17H29 AB3C3D17E29 -130.99 3.19 -8.45 -0.37 0
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146426 53687544 1 N2O9C25H36 A2B9C25D36 -331.39 6.5 -8.93 -0.92 0
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146427 53687545 1 N2C15H16 A2B15C16 45.4 2.88 -9.1 -0.13 0
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146428 53687546 1 O2S2F3N3H16C21 A2B2C3D3E16F21 -116.53 6.0 -9.31 -1.51 0
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146429 53687547 1 O3N4C12H16 A3B4C12D16 0.98 9.86 -8.78 -1.04 0
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146430 53687548 1 O2C15H22 A2B15C22 -67.38 6.53 -8.73 -0.37 0
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146431 53688120 1 ClN2O3C6H9 AB2C3D6E9 -85.74 3.22 -9.88 -0.27 0
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146432 53688121 1 O3C7H14 A3B7C14 -157.34 3.1 -10.68 0.49 0
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146433 53688122 1 NO6C31H35 AB6C31D35 -187.11 8.57 -8.32 -0.38 0
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146434 53688123 1 NO4C23H31 AB4C23D31 -166.12 3.89 -7.83 0.13 0
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146435 53688531 1 N3O3C9H17 A3B3C9D17 -113.53 4.23 -9.55 0.06 0
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146436 53688578 2 O3C15H25 A3B15C25 -309.83 6.6 -9.2 0.9 0
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146437 53688841 1 NOSC9H9 ABCD9E9 -15.85 3.8 -8.68 -0.84 0
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146438 53688848 1 N3O5C19H29 A3B5C19D29 -253.76 3.78 -8.56 -0.04 0
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146439 53688849 1 PC19H41 AB19C41 -95.87 1.64 -8.88 3.08 0
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146440 53689134 1 FO5C21H31 AB5C21D31 -296.85 4.23 -9.78 -0.15 0
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146441 53689923 1 NO2C14H29 AB2C14D29 -145.87 3.59 -9.67 2.31 0
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146442 53690195 1 O2C19H24 A2B19C24 -81.13 4.92 -9.04 0.07 0
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146443 53690347 1 S2N5O10C13H15 A2B5C10D13E15 -311.95 8.45 -9.77 -1.55 0
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146444 53690348 1 FCl2O4H17C20 AB2C4D17E20 -184.44 6.51 -9.43 -0.75 0
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146445 53690349 1 ON3C25H31 AB3C25D31 -19.37 3.91 -7.98 0.12 0
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146446 53690436 2 O2H7C10 A2B7C10 -38.06 5.59 -9.28 -0.7 0
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146447 53690553 2 C17H25 A17B25 21.49 0.72 -9.41 1.22 0
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146448 53690816 1 N2O3C25H26 A2B3C25D26 -55.26 5.94 -8.85 -0.76 0
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146449 53691177 1 O3H20C25 A3B20C25 -1.16 8.18 -9.14 -1.19 0
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146450 53691472 1 BrCl2N2O2C14H15 AB2C2D2E14F15 -80.22 5.32 -9.3 -1.01 0
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146451 53691473 1 NOC19H25 ABC19D25 -25.04 1.66 -8.55 0.15 0
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146452 53691753 1 SN3O7C28H35 AB3C7D28E35 -205.76 10.53 -9.11 -0.72 0
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146453 53691754 1 NSO4H13C17 ABC4D13E17 -73.43 5.17 -9.07 -0.97 0
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146454 53691956 1 SC4Cl4H6 AB4C4D6 -34.85 1.88 -9.86 -1.15 0
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146455 53692130 1 ON3H7C10 AB3C7D10 76.17 4.65 -8.9 -1.44 0
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146456 53692131 1 SN4O6C28H32 AB4C6D28E32 -204.93 1.91 -9.63 -0.72 0
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146457 53692215 2 NO3C15H17 AB3C15D17 -192.44 3.08 -8.26 -0.15 0
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146458 53692412 1 N2O3H10C11 A2B3C10D11 26.07 4.94 -9.66 -1.76 1
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146459 53692878 1 N3O4C29H42 A3B4C29D42 -187.63 5.43 0.0 0.0 0
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146460 53693278 1 Cl2N4C21H24 A2B4C21D24 69.42 4.89 -8.71 -0.67 0
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146461 53693875 1 N3O8C26H29 A3B8C26D29 -254.51 3.69 -9.55 -0.82 0
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146462 53694283 1 ClN3O7C29H38 AB3C7D29E38 -308.51 4.64 -9.44 -0.75 0
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146463 53694548 1 SH2O3C4F6 AB2C3D4E6 -416.48 4.25 -11.9 -1.22 0
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146464 53694803 1 OSC26H54 ABC26D54 -106.91 2.51 -8.55 -2.1 0
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146465 53694804 1 F3N4O6C15H19 A3B4C6D15E19 -244.34 5.19 -9.75 -1.83 0