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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413361 135086309 2 NO2C9H11 AB2C9D11 -117.19 5.16 -8.62 -0.14 0
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413362 135086310 14 CH AB 74.94 2.34 -8.65 -0.04 0
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413363 135086311 1 SN2O5C29H30 AB2C5D29E30 -124.17 5.65 -8.4 -0.73 0
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413364 135086312 1 NOSiC13H23 ABCD13E23 -72.07 0.31 -8.4 0.53 0
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413365 135086313 1 SiO2C22H26 AB2C22D26 -7.78 2.05 -9.22 -0.14 0
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413366 135086314 1 OSi2C19H32 AB2C19D32 -26.13 2.18 -9.12 0.45 0
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413367 135086315 1 O4C7H10 A4B7C10 -167.12 5.34 -10.18 0.21 0
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413368 135086316 1 SO2C15H22 AB2C15D22 -83.27 2.41 -9.1 -0.94 0
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413369 135086317 1 ClFC7H12 ABC7D12 -67.72 1.92 -10.51 0.79 0
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413370 135086319 1 NO3C13H23 AB3C13D23 -159.72 1.06 -9.62 -0.09 0
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413371 135086320 1 SO3H20C21 AB3C20D21 -34.92 4.8 -7.9 -0.27 0
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413372 135086321 1 ClNSO2F5H7C13 ABCD2E5F7G13 -257.11 5.03 -9.65 -1.1 -2
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413373 135086322 1 BClMoO2N6C18H23 ABCD2E6F18G23 129.46 8.49 0.0 0.0 0
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413374 135086323 1 NSO3C14H17 ABC3D14E17 -40.41 3.91 -9.65 -0.48 0
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413375 135086324 1 OSi2C17H24 AB2C17D24 -28.39 2.83 -9.3 0.47 0
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413376 135086325 1 BrOH11C15 ABC11D15 24.39 2.16 -8.73 -0.63 0
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413377 135086326 1 OCl2H10C15 AB2C10D15 2.58 1.55 -8.83 -0.72 0
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413378 135086327 1 BO2C16H29 AB2C16D29 -198.95 2.66 -9.06 1.01 0
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413379 135086328 1 NO4C15H23 AB4C15D23 -177.07 2.05 -9.56 0.05 0
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413380 135086329 1 BrSiN2O3C12H21 ABC2D3E12F21 -140.33 4.7 -9.79 -0.3 0
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413381 135086330 1 NH13C15 AB13C15 78.71 3.36 -9.02 -0.2 0
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413382 135086331 1 BrSiN2O3C12H21 ABC2D3E12F21 -139.19 1.77 -9.65 -0.54 0
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413384 135086333 1 NO3C11H15 AB3C11D15 -123.2 3.46 -9.72 0.64 0
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413385 135086334 1 BrO2C20H29 AB2C20D29 -102.18 1.05 -9.35 -0.18 0
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413386 135086335 1 BrO2C22H33 AB2C22D33 -112.14 1.75 -9.34 -0.13 1
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413387 135086336 1 NC8H10 AB8C10 25.71 2.02 0.0 0.0 1
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413388 135086337 1 N4C13H13 A4B13C13 122.7 1.12 0.0 0.0 1
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413389 135086338 1 ClN4H10C12 AB4C10D12 122.06 2.91 0.0 0.0 1
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413390 135086339 1 ClNC8H9 ABC8D9 14.43 3.44 0.0 0.0 0
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413391 135086340 1 BrN3O3C23H28 AB3C3D23E28 -102.24 8.44 -8.81 -1.02 0
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413392 135086341 1 N2O5C24H24 A2B5C24D24 -156.15 2.61 -8.78 -1.05 0
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413393 135086342 1 N2O5H24C26 A2B5C24D26 -132.04 4.8 -8.65 -1.09 0
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413394 135086343 1 BrNO2C14H16 ABC2D14E16 -46.71 6.61 -8.41 -0.91 0
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413395 135086344 1 BrNO2H12C16 ABC2D12E16 -0.47 3.04 -8.44 -1.03 0
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413396 135086345 1 N2O6C19H22 A2B6C19D22 -190.3 5.66 -8.89 -0.79 0
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413397 135086346 1 BrNSO2H12C15 ABCD2E12F15 25.82 5.94 -8.86 -0.51 0
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413398 135086347 1 ClFO2H4C8 ABC2D4E8 -80.67 2.73 -9.97 -1.43 0
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413399 135086348 1 IN2C12H13 AB2C12D13 47.25 4.57 -8.44 -0.55 1
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413400 135086349 1 N4C13H13 A4B13C13 119.97 4.0 0.0 0.0 1
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413401 135086350 1 FN4H10C12 AB4C10D12 82.2 3.19 0.0 0.0 1
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413402 135086351 1 ClN4H10C12 AB4C10D12 119.89 3.14 0.0 0.0 0
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413403 135086352 1 BN2O2C13H23 AB2C2D13E23 -162.79 4.31 -9.14 0.85 0
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413404 135086353 1 NSO2C20H21 ABC2D20E21 9.09 6.67 -8.68 -0.6 0
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413405 135086354 1 SiO6C25H40 AB6C25D40 -242.75 15.89 -8.84 -2.15 0
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413406 135086355 1 BN2O2C16H21 AB2C2D16E21 -120.06 4.87 -8.71 0.38 0
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413407 135086356 1 FON3C22H22 ABC3D22E22 -32.07 5.48 -8.7 -0.81 1
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413408 135086357 1 ON2C13H13 AB2C13D13 26.22 3.07 0.0 0.0 0
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413409 135086358 1 NRhC17H26 ABC17D26 197.28 29.59 -8.56 -4.1 0
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413410 135086359 1 O3C14H26 A3B14C26 -151.94 2.65 -9.26 1.28 0
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413411 135086360 1 O7C10H14 A7B10C14 -314.86 5.01 -10.96 -0.12 0
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413412 135086361 1 N2S2O3H4C5 A2B2C3D4E5 -43.74 4.12 -9.76 -0.91 0
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413413 135086362 1 NOSiC9H19 ABCD9E19 -83.37 3.02 -9.84 1.24 0
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413414 135086363 1 NO2H13C14 AB2C13D14 -5.16 4.65 -9.14 -0.68 0
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413415 135086364 1 SN4H10C12 AB4C10D12 133.72 0.66 -9.11 -0.9 0
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413416 135086365 1 ON3H11C12 AB3C11D12 89.49 7.1 -8.63 -1.11 0
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413417 135086366 1 NO3C10H11 AB3C10D11 -89.78 2.38 -8.81 -0.42 0
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413418 135086367 1 NSO2C13H17 ABC2D13E17 -40.69 5.36 -9.92 -0.34 0
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413419 135086368 1 N2O3C11H12 A2B3C11D12 -29.98 5.66 -9.55 -1.33 0
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413420 135086369 1 Cl2N2O2C13H16 A2B2C2D13E16 -76.87 4.48 -9.32 -0.68 0
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413421 135086370 1 BrClN2O2C13H16 ABC2D2E13F16 -59.98 3.58 -9.09 -0.7 0
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413423 135086372 1 NO4H15C19 AB4C15D19 -24.86 4.75 -9.05 -1.06 0
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413424 135086373 1 SCl2N2O6H16C23 AB2C2D6E16F23 -126.66 4.7 -8.89 -1.47 0
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413425 135086374 1 SN2O8H22C26 AB2C8D22E26 -201.67 2.71 -8.75 -1.58 0
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413426 135086375 1 SN2O9H22C26 AB2C9D22E26 -233.55 5.94 -8.53 -1.69 0
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413427 135086376 1 FNO5C16H16 ABC5D16E16 -231.22 2.67 -9.38 -1.76 0
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413428 135086377 1 NO5C22H27 AB5C22D27 -125.4 4.48 -8.45 -0.19 0
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413429 135086378 1 NSO2H13C17 ABC2D13E17 23.6 2.21 -8.55 -0.59 0
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413430 135086379 1 N2O2C15H16 A2B2C15D16 23.83 2.93 -8.54 -0.52 1
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413431 135086380 1 N2O2C15H17 A2B2C15D17 29.39 5.43 0.0 0.0 0
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413432 135086381 1 O2N3C15H15 A2B3C15D15 -16.16 1.93 -8.8 -0.54 0
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413433 135086382 1 O2N3H17C19 A2B3C17D19 1.55 2.13 -8.59 -0.74 0
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413434 135086383 1 SN2O4C14H20 AB2C4D14E20 -59.74 7.34 -10.05 -1.69 0
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413435 135086384 1 O3C7H14 A3B7C14 -157.65 2.96 -10.06 1.65 0
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413436 135086385 1 TeF4H6C16 AB4C6D16 -69.61 1.9 -8.22 -1.03 0
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413437 135086386 1 OSeC16H18 ABC16D18 29.97 3.17 -8.36 -0.15 0
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413438 135086387 1 BrNO2H12C16 ABC2D12E16 -14.92 5.84 -8.5 -0.88 0
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413439 135086388 1 NO5C14H15 AB5C14D15 -174.51 3.59 -9.31 -0.48 0
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413440 135086389 1 ClNO5C14H14 ABC5D14E14 -184.18 5.45 -9.42 -0.56 0
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413441 135086390 1 NO5C15H17 AB5C15D17 -184.79 6.4 -9.33 -0.44 0
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413442 135086391 1 O3C8H12 A3B8C12 -106.01 1.78 -10.51 -0.01 0
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413443 135086392 1 NO3C18H23 AB3C18D23 -130.06 3.21 -9.34 -0.18 0
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413444 135086393 1 NF3O3C18H20 AB3C3D18E20 -283.27 2.0 -10.33 -0.77 0
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413445 135086394 1 PO2H19C21 AB2C19D21 -20.34 5.04 -8.82 -0.08 0
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413446 135086395 1 PO3C18H19 AB3C18D19 -104.27 4.01 -9.9 -0.2 0
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413447 135086396 1 ClNO2C12H14 ABC2D12E14 -30.97 2.06 -9.23 -0.38 0
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413448 135086397 1 BO2C21H31 AB2C21D31 -170.74 2.8 -8.67 0.77 1
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413449 135086398 1 NOH16C18 ABC16D18 37.78 1.71 0.0 0.0 0
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413450 135086399 1 O4H16C17 A4B16C17 -95.75 6.16 -9.1 -0.76 0
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413451 135086400 1 F3O3H13C17 A3B3C13D17 -220.17 3.72 -10.05 -0.94 0
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413452 135086401 1 BrOSiN3C10H16 ABCD3E10F16 -8.21 4.11 -9.81 -0.67 1
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413453 135086402 1 PH2O2F4C6 AB2C2D4E6 -199.63 4.87 0.0 0.0 0
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413454 135086403 1 NPO6C13H18 ABC6D13E18 -283.84 5.0 -9.34 -0.65 0
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413455 135086404 1 NO3C14H19 AB3C14D19 -89.47 2.54 -9.3 -0.28 0
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413456 135086405 1 NOC20H25 ABC20D25 -16.92 2.89 -9.17 -0.86 0
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413457 135086406 1 ClO3H13C14 AB3C13D14 -83.07 2.44 -9.2 -1.27 1
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413458 135086407 1 NC9H12 AB9C12 15.78 1.73 0.0 0.0 1
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413459 135086408 1 NC9H12 AB9C12 22.66 1.89 0.0 0.0 0
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413460 135086409 1 SO4C16H16 AB4C16D16 -108.98 5.01 -8.85 -0.38 0
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413461 135086410 1 SO3H16C19 AB3C16D19 -49.93 4.73 -8.84 -0.55 0
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413462 135086411 1 ClOS2C11H11 ABC2D11E11 3.64 3.52 -8.9 -0.84 0