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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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427360 135157636 1 OF3C16H27 AB3C16D27 -248.48 4.9 -10.43 1.45 0
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427361 135157643 1 NSC12H15 ABC12D15 20.36 2.45 -8.89 -0.67 0
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427362 135157649 1 FNO5C26H34 ABC5D26E34 -279.91 1.98 -9.24 -0.4 0
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427363 135157660 1 ClFN2O5C26H28 ABC2D5E26F28 -217.69 1.41 -9.36 -0.55 0
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427364 135157687 1 NOC10H19 ABC10D19 -81.91 4.96 -9.69 1.4 0
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427365 135157714 1 O2N3C12H19 A2B3C12D19 -59.04 1.38 -9.37 0.3 0
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427366 135157726 1 SO2C15H22 AB2C15D22 -89.05 5.09 -8.74 0.05 0
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427367 135157734 1 SN2O3C22H26 AB2C3D22E26 -63.74 1.16 -8.25 -0.62 0
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427368 135157741 1 ON3C8H13 AB3C8D13 -22.12 2.37 -9.36 0.49 0
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427369 135157770 2 NO2C12H16 AB2C12D16 -133.9 7.91 -8.28 -0.32 0
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427370 135157778 2 OC10H15 AB10C15 -114.21 1.37 -9.14 0.28 0
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427371 135157812 1 O6C23H26 A6B23C26 -218.06 1.44 -8.7 -0.36 0
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427372 135157823 1 O2C19H26 A2B19C26 -97.64 2.62 -9.21 0.25 0
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427373 135157853 1 SF5O7C25H35 AB5C7D25E35 -607.47 6.28 -10.23 -1.3 0
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427374 135157874 1 O2C17H22 A2B17C22 -86.45 2.43 -9.28 0.22 0
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427375 135157882 1 O5C31H32 A5B31C32 -168.09 1.4 -8.92 -0.4 0
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427376 135157885 2 O2C13H13 A2B13C13 -142.14 1.8 -8.48 -0.78 0
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427377 135157890 1 SF3O7C17H23 AB3C7D17E23 -502.63 2.02 -10.6 -0.44 0
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427378 135157900 1 FN2O5C21H21 AB2C5D21E21 -195.23 5.13 -9.68 -0.8 0
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427379 135157913 1 O2C19H26 A2B19C26 -112.66 2.65 -9.21 0.26 0
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427380 135157915 4 OH5C6 AB5C6 -101.05 0.93 -8.59 -0.88 0
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427381 135157961 1 FPN6O7C25H36 ABC6D7E25F36 -363.28 2.95 -8.74 -0.27 0
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427382 135157962 1 SCl2F3N3O3H22C23 AB2C3D3E3F22G23 -242.75 4.5 -9.26 -1.61 0
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427383 135157963 1 O2N6C9H12 A2B6C9D12 44.94 3.52 -10.19 -1.43 0
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427384 135157972 1 NS2C13H19 AB2C13D19 86.24 3.41 -7.38 0.07 0
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427385 135158010 1 O2N3C23H33 A2B3C23D33 -44.32 3.1 -8.13 -0.62 -1
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427386 135158031 1 N7O18H146C154 A7B18C146D154 -239.96 6.81 0.0 0.0 0
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427387 135158088 7 OC4H4 AB4C4 -241.15 6.63 -8.95 -0.93 0
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427388 135158089 2 N4O9H51C53 A4B9C51D53 -354.9 12.15 -7.62 -1.16 0
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427389 135158109 2 O2C9H11 A2B9C11 -153.68 0.3 -8.59 -0.14 0
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427390 135158140 1 N2O3C18H26 A2B3C18D26 -87.03 3.86 -9.3 0.4 0
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427391 135158141 1 NO3H14C17F17 AB3C14D17E17 -960.28 1.47 -8.5 -0.77 0
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427393 135158213 1 NC17H27 AB17C27 9.63 2.34 -8.26 0.59 0
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427394 135158216 1 NC14H25 AB14C25 6.07 1.69 -8.82 1.1 0
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427395 135158220 1 SN4O4C19H28 AB4C4D19E28 -99.27 10.98 -8.61 -0.94 0
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427396 135158263 3 N2O3C12H16 A2B3C12D16 -278.34 7.87 -8.29 -1.21 0
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427397 135158283 1 O5N6C29H34 A5B6C29D34 -83.72 10.39 -8.02 -1.01 0
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427398 135158284 1 SN6O8C30H38 AB6C8D30E38 -209.19 11.95 -8.57 -1.63 0
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427399 135158285 1 SN6O9C30H38 AB6C9D30E38 -232.82 8.73 -8.63 -1.47 0
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427400 135158345 1 O2N3C16H21 A2B3C16D21 -24.06 3.72 -8.4 -0.81 0
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427401 135158354 1 NSH23C24 ABC23D24 107.25 6.26 -7.45 -0.11 0
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427402 135158367 1 N3O5C21H27 A3B5C21D27 -210.85 8.19 -9.08 -0.58 0
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427403 135158381 1 FNO4C29H38 ABC4D29E38 -229.7 9.8 -9.41 -0.53 0
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427404 135158396 1 SN13O14C69H101 AB13C14D69E101 -553.4 2.32 -8.75 -1.96 0
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427405 135158397 1 SN3O5C33H49 AB3C5D33E49 -232.73 10.69 -9.45 -1.02 0
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427406 135158423 1 N3O5C16H21 A3B5C16D21 -178.63 7.59 -9.26 -0.86 0
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427407 135158429 1 OF2N2C13H24 AB2C2D13E24 -197.33 3.89 -9.46 0.96 0
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427408 135158508 1 ON2C16H22 AB2C16D22 -3.66 3.94 -8.62 0.46 0
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427409 135158512 1 FN3O5C30H34 AB3C5D30E34 -178.23 3.11 -8.55 -0.65 0
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427410 135158531 1 N5O9C53H57 A5B9C53D57 -256.84 6.43 -8.8 -0.96 0
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427411 135158541 1 N5O10C58H65 A5B10C58D65 -303.18 0.62 -8.78 -0.89 0
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427412 135158548 1 SN3O5C21H25 AB3C5D21E25 -113.71 7.02 -9.06 -1.24 0
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427413 135158583 1 NO6C23H29 AB6C23D29 -234.84 0.71 -8.99 -0.21 0
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427414 135158628 1 N2F3C22H33 A2B3C22D33 -180.08 3.75 -8.63 0.52 0
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427415 135158630 1 N5O10C55H61 A5B10C55D61 -306.59 4.64 -8.8 -0.98 0
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427416 135158684 1 ClO3N4C20H31 AB3C4D20E31 -101.26 6.84 -9.33 -0.4 0
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427417 135158724 1 ClF3O3N4C24H26 AB3C3D4E24F26 -227.58 9.89 -9.77 -1.2 0
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427418 135158738 1 OP2N4C22H28 AB2C4D22E28 21.2 5.48 -7.85 -0.46 0
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427419 135158753 1 OPN5C27H34 ABC5D27E34 40.67 4.86 -8.1 -0.98 0
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427420 135158812 1 OPN3C21H26 ABC3D21E26 5.84 5.65 -7.84 -0.47 0
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427421 135158818 1 O3N4C25H28 A3B4C25D28 -23.0 4.54 -8.26 -0.92 0
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427422 135158819 2 ON2C11H12 AB2C11D12 28.42 4.08 -7.94 -1.04 0
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427423 135158858 1 N3O3C10H11 A3B3C10D11 -77.82 4.54 -9.23 -0.98 0
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427424 135158860 1 OPN6C23H29 ABC6D23E29 62.7 2.8 -7.79 -1.0 0
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427425 135158870 1 OPN2C12H25 ABC2D12E25 -70.32 4.42 -9.04 0.68 0
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427426 135158873 1 OPN4C24H27 ABC4D24E27 45.59 5.42 -8.48 -0.92 0
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427427 135158878 1 FPN3O3C21H25 ABC3D3E21F25 -96.98 2.41 -8.54 -0.81 0
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427428 135158880 1 ON6C24H28 AB6C24D28 38.97 2.83 -8.52 -0.97 0
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427429 135158895 1 OPSN4C23H27 ABCD4E23F27 33.92 2.99 -8.1 -0.8 0
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427430 135158897 1 PO2N3C21H26 AB2C3D21E26 -23.59 6.54 -7.82 -0.5 0
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427431 135158898 1 ON7C23H27 AB7C23D27 57.93 4.82 -8.24 -1.29 0
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427432 135158919 1 PN2O3C24H29 AB2C3D24E29 -52.9 3.69 -8.36 -0.74 0
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427433 135158931 1 ON6C27H34 AB6C27D34 70.88 6.93 -8.46 -0.84 0
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427434 135158932 1 N2F4O4C47H54 A2B4C4D47E54 -282.37 11.43 -8.4 -0.64 0
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427435 135158933 1 OPN5C25H32 ABC5D25E32 30.83 6.17 -8.0 -0.89 0
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427436 135158934 1 ON5C26H29 AB5C26D29 87.16 3.76 -8.44 -0.86 0
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427437 135158935 1 NO3C13H19 AB3C13D19 -104.95 3.15 -9.75 0.31 0
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427438 135158936 1 FO2N4H21C22 AB2C4D21E22 -33.04 4.0 -8.73 -1.2 0
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427439 135158943 1 N2F4O4C47H48 A2B4C4D47E48 -249.84 7.29 -8.42 -0.67 0
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427440 135158962 1 FNSO4C8H14 ABCD4E8F14 -229.29 6.06 -9.03 -0.67 0
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427441 135158984 1 ON5C26H31 AB5C26D31 40.13 5.64 -7.96 -0.98 0
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427442 135158986 1 ON6H22C24 AB6C22D24 101.49 2.42 -8.97 -0.97 0
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427443 135158987 1 NO5C8H15 AB5C8D15 -243.51 4.59 -9.96 0.22 0
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427444 135158992 1 O2N4H30C31 A2B4C30D31 77.79 3.08 -8.07 -0.26 0
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427445 135158994 1 O2N7C26H31 A2B7C26D31 19.0 3.8 -8.85 -0.74 0
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427446 135159005 1 ON4H22C26 AB4C22D26 117.66 7.27 -8.72 -0.92 0
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427447 135159032 2 N2C5H10 A2B5C10 47.28 3.73 -8.51 0.62 0
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427448 135159036 1 N2O4H18C19 A2B4C18D19 -77.88 6.52 -9.21 -0.54 0
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427449 135159038 1 ON5H17C18 AB5C17D18 64.87 7.11 -8.01 -0.94 0
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427450 135159039 1 ON7H21C23 AB7C21D23 119.55 3.56 -8.97 -1.17 0
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427451 135159040 1 BrON5C18H18 ABC5D18E18 60.38 6.31 -8.61 -0.34 0
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427452 135159044 1 O2N5C22H25 A2B5C22D25 16.14 4.27 -8.77 -0.66 0
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427453 135159046 1 OF2N6H18C25 AB2C6D18E25 108.31 7.79 -8.16 -1.78 0
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427454 135159052 1 OF3N6H19C20 AB3C6D19E20 -76.97 4.15 -8.58 -1.2 0
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427455 135159054 1 NC12H23 AB12C23 -8.01 2.02 -8.14 1.4 0
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427456 135159055 1 N4O4C23H28 A4B4C23D28 -85.93 5.49 -8.51 -0.4 0
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427457 135159056 1 O2C13H24 A2B13C24 -135.9 3.5 -10.2 2.69 0
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427458 135159057 1 ON8C20H20 AB8C20D20 137.15 12.25 -8.32 -1.06 0
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427459 135159083 2 ON3H10C12 AB3C10D12 58.16 4.48 -7.97 -0.97 0
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427460 135159092 1 O2N7C25H25 A2B7C25D25 130.86 13.16 -7.92 -1.46 0