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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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388310 134988745 1 SC9H16 AB9C16 6.35 1.28 -8.27 0.69 0
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388311 134988747 1 N2F3C13H15 A2B3C13D15 -131.55 4.2 -8.86 -0.58 0
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388312 134988748 2 SC5H9 AB5C9 -23.55 3.01 -8.47 0.53 0
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388313 134988749 1 SSeC17H34 ABC17D34 -36.26 2.15 -8.57 -1.14 0
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388314 134988755 1 NPS2O3C9H20 ABC2D3E9F20 -194.81 3.23 -8.57 -0.3 0
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388315 134988758 1 S2C11H20 A2B11C20 -3.06 3.17 -8.46 0.28 0
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388316 134988760 1 OC15H18 AB15C18 -19.76 2.13 -9.26 0.18 0
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388317 134988767 1 ON2H14C15 AB2C14D15 13.8 4.91 -9.63 -0.48 0
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388318 134988770 1 NOC15H27 ABC15D27 -80.11 4.11 -9.28 1.14 0
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388319 134988773 1 IN3O3H4C10 AB3C3D4E10 73.62 5.73 -10.02 -1.85 0
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388320 134988774 1 O2C11H18 A2B11C18 -85.61 4.44 -9.45 0.75 0
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388321 134988775 1 OPCl2C13H17 ABC2D13E17 -69.36 3.45 -8.94 0.02 0
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388322 134988789 1 IC7F7H8 AB7C7D8 -369.47 1.45 -9.86 -1.18 0
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388323 134988791 1 NOSC13H19 ABCD13E19 -24.85 6.31 -8.12 0.02 0
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388324 134988793 2 OSC4H4 ABC4D4 -38.37 4.38 -9.05 -0.82 0
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388325 134988794 1 S2C11H14 A2B11C14 29.81 2.18 -8.82 -0.98 0
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388326 134988796 1 ClNOSH12C14 ABCDE12F14 -0.2 3.85 -8.68 -0.76 0
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388327 134988801 1 PSeO3C10H23 ABC3D10E23 -203.96 1.34 -8.24 0.14 0
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388328 134988805 1 Br2S3C8H10 A2B3C8D10 43.61 4.45 -8.67 -1.97 0
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388329 134988811 1 INOSC9H12 ABCDE9F12 39.95 3.56 -8.28 -0.44 0
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388330 134988814 1 SN2O3H6C7 AB2C3D6E7 -1.19 4.96 -9.46 -1.73 0
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388331 134988816 1 OSeH12C16 ABC12D16 44.54 1.18 -8.46 -0.77 0
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388332 134988817 2 ClOC3H4 ABC3D4 -97.6 6.3 -10.43 -0.96 0
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388333 134988823 1 ClOBr2F2C7H9 ABC2D2E7F9 -124.83 3.02 -10.63 -1.22 0
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388334 134988832 1 N3H13C14 A3B13C14 89.41 2.27 -9.89 -0.47 0
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388335 134988833 1 SO5C9H10 AB5C9D10 -170.21 5.8 -9.75 -1.04 0
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388336 134988837 1 OS2Cl3H5C8 AB2C3D5E8 3.77 4.3 -9.18 -1.95 0
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388337 134988838 1 PO3C11H21 AB3C11D21 -195.56 1.37 -9.59 0.64 0
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388338 134988839 1 SiO3S3C10H24 AB3C3D10E24 -170.79 5.35 -7.9 2.52 0
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388339 134988840 1 SeN3H4C7 AB3C4D7 124.1 4.39 0.0 0.0 0
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388340 134988841 1 SSeC11H14 ABC11D14 38.3 2.17 -8.28 0.02 0
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388341 134988843 1 PSeO3C5H13 ABC3D5E13 -168.37 3.42 -8.4 0.04 0
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388342 134988844 1 PSeO3C9H21 ABC3D9E21 -205.45 1.85 -8.1 0.39 0
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388343 134988845 1 NPS2O3C8H18 ABC2D3E8F18 -184.55 1.85 -8.31 -0.11 0
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388344 134988846 1 OSeSiC9H20 ABCD9E20 -86.86 4.56 -7.92 -0.3 0
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388345 134988847 1 SN2O4C11H22 AB2C4D11E22 -62.08 9.42 -10.24 -0.61 0
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388346 134988848 1 PSO4C9H19 ABC4D9E19 -241.8 6.13 -9.22 0.55 0
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388347 134988849 1 O3C11H24 A3B11C24 -166.36 2.99 -9.39 1.74 0
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388348 134988858 1 NO3C13H19 AB3C13D19 -109.51 3.58 -9.14 -0.36 0
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388349 134988863 1 OC12H18 AB12C18 -38.3 3.3 -9.74 0.74 0
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388350 134988866 1 HgOCl2C6H10 ABC2D6E10 -36.34 2.59 -9.53 0.55 0
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388351 134988868 1 O3C12H14 A3B12C14 -87.43 4.72 -9.79 -0.09 0
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388352 134988870 1 BrCl2O2C8H11 AB2C2D8E11 -105.33 2.64 -9.7 -0.97 0
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388353 134988872 1 NCl2C10H11 AB2C10D11 15.77 2.69 -9.42 -0.28 0
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388354 134988883 1 ClSSeC12H15 ABCD12E15 26.82 3.0 -8.81 -1.08 0
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388355 134988884 1 ClSSeH9C13 ABCD9E13 76.83 1.74 -8.81 -1.25 0
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388356 134988892 1 NPO2Cl3C9H11 ABC2D3E9F11 -151.21 2.53 -9.72 -0.83 0
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388357 134988895 1 F3O3C9H17 A3B3C9D17 -311.58 3.91 -10.31 1.21 0
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388358 134988897 1 S3C10H10 A3B10C10 70.16 2.53 -8.8 -1.6 0
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388359 134988898 1 PO4C11H21 AB4C11D21 -227.03 2.51 -9.33 -0.13 0
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388360 134988910 1 ClNO2C14H16 ABC2D14E16 -79.72 2.75 -9.72 -1.31 0
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388361 134988915 1 BrClOSC12H14 ABCDE12F14 -17.46 3.04 -8.49 -0.43 0
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388362 134988922 1 OPCl3C8H14 ABC3D8E14 -117.64 4.36 -9.54 -0.3 0
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388363 134988924 1 I2N2C3H4 A2B2C3D4 72.67 6.1 -9.54 -2.0 0
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388364 134988925 1 NC10H19 AB10C19 -24.25 2.58 -9.7 1.27 0
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388365 134988926 3 NC5H5 AB5C5 78.92 2.45 -9.78 -0.42 0
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388366 134988932 1 SO3C7H10 AB3C7D10 -115.98 6.87 -9.36 -0.61 0
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388367 134988933 1 SO2C11H18 AB2C11D18 -89.55 4.37 -8.61 0.23 0
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388368 134988941 1 NOSbC6Cl6H14 ABCD6E6F14 -191.17 14.85 -11.33 -1.93 1
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388369 134988942 1 NOC6H14 ABC6D14 -40.56 0.74 0.0 0.0 0
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388370 134988944 1 NO3C6H13 AB3C6D13 -128.88 0.85 -9.75 0.66 0
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388371 134988955 2 OSC6H10 ABC6D10 -106.71 3.56 -8.53 0.01 0
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388372 134988956 1 NSC15H17 ABC15D17 51.24 5.25 -8.24 -0.73 0
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388373 134988957 1 NOSC15H21 ABCD15E21 -43.28 5.8 -8.71 -0.13 0
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388374 134988958 1 BrO4C13H19 AB4C13D19 -181.97 6.23 -9.92 -1.14 0
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388375 134988959 1 NOSiC10H23 ABCD10E23 -98.89 3.73 -9.0 1.44 0
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388376 134988962 1 ClSF2O2C9H13 ABC2D2E9F13 -226.03 2.64 -9.72 -1.05 0
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388377 134988984 1 SO3C13H16 AB3C13D16 -96.95 3.5 -8.82 -0.35 0
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388378 134988997 1 GeO2C10H18 AB2C10D18 -99.22 1.83 -9.64 -0.2 0
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388379 134989005 1 HgOCl2C8H14 ABC2D8E14 -64.55 2.56 -9.35 -0.81 0
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388380 134989006 1 O2C9H12 A2B9C12 -8.38 4.04 -9.06 0.26 0
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388381 134989007 1 ClOC10H11 ABC10D11 -12.46 2.97 -10.0 -0.18 0
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388383 134989019 1 NSO2F3C10H14 ABC2D3E10F14 -214.76 2.18 -8.74 -0.05 0
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388384 134989020 1 NOSeC13H17 ABCD13E17 -7.11 1.47 -8.15 -0.19 0
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388385 134989021 1 NOSeC16H31 ABCD16E31 -94.17 1.0 -8.54 0.02 0
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388386 134989022 1 NO2C11H19 AB2C11D19 -59.31 4.29 -8.1 0.75 0
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388387 134989023 1 NO2C9H11 AB2C9D11 -7.19 3.88 -8.59 -0.4 0
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388388 134989024 1 OS2C11H14 AB2C11D14 -8.96 4.01 -8.9 -1.09 0
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388389 134989025 1 NOSC8H17 ABCD8E17 -32.54 3.8 -8.46 -0.49 0
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388390 134989027 1 BrN2O3C10H11 AB2C3D10E11 -44.3 4.79 -9.23 -0.93 0
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388391 134989028 1 NOC15H17 ABC15D17 29.74 5.18 -8.48 -0.19 1
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388392 134989030 1 NO2C9H16 AB2C9D16 -94.38 4.49 0.0 0.0 0
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388393 134989031 1 OC15H18 AB15C18 -22.99 2.89 -9.4 0.27 0
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388394 134989032 1 KO2C6F9 AB2C6D9 -620.21 9.91 -10.05 -0.67 0
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388395 134989037 1 SSeC12H22 ABC12D22 -9.66 3.19 -8.26 0.1 0
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388396 134989042 1 NOC15H25 ABC15D25 -94.54 3.57 -9.75 1.29 0
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388397 134989043 1 NOSCl2H5C7 ABCD2E5F7 -14.71 1.36 -9.72 -1.21 0
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388398 134989044 1 NOC16H29 ABC16D29 -86.71 3.64 -9.36 1.2 0
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388400 134989046 1 IOC13H21 ABC13D21 -36.78 2.81 -9.16 -0.79 0
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388401 134989047 1 PO2Cl3C6H10 AB2C3D6E10 -159.13 7.03 -10.61 -0.58 0
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388402 134989048 1 SO2C14H24 AB2C14D24 -113.55 2.09 -9.23 -0.05 0
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388403 134989049 1 SO4H8C9 AB4C8D9 -89.33 1.92 -9.11 -1.57 0
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388404 134989052 1 NCl2C11H19 AB2C11D19 -38.78 2.66 -9.99 -0.13 0
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388405 134989053 1 SO2C6H12 AB2C6D12 -87.45 3.46 -8.92 -0.17 0
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388406 134989054 1 SN2O4C6H10 AB2C4D6E10 -28.42 9.49 -9.83 -0.66 0
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388407 134989060 1 O2S2C13H18 A2B2C13D18 -46.68 0.96 -8.96 -1.19 0
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388408 134989061 1 SSeCl2H8C13 ABC2D8E13 74.28 0.81 -8.86 -1.99 0
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388409 134989062 1 SSeC10H12 ABC10D12 46.51 1.73 -8.28 -0.18 0
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388410 134989065 1 OSeSiC11H16 ABCD11E16 -36.48 3.72 -7.99 -0.48 0
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388411 134989071 1 NF2O2C10H15 AB2C2D10E15 -173.63 5.77 -9.83 0.24 0