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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40303 8143902 1 BrNOC16H22 ABCD16E22 -33.85 5.28 -8.89 -0.26 1
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40304 8143903 1 OSN3C14H18 ABC3D14E18 44.48 6.7 0.0 0.0 0
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40305 8143904 1 OSN3C14H17 ABC3D14E17 26.92 5.21 -8.63 -0.74 0
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40306 8143905 1 FON2S2H11C18 ABC2D2E11F18 12.86 3.91 -8.49 -1.25 1
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40307 8143906 1 SN3O3C15H20 AB3C3D15E20 -28.57 4.85 0.0 0.0 0
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40308 8143907 1 SN3O3C15H19 AB3C3D15E19 -45.9 6.18 -8.67 -0.9 0
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40309 8143908 1 BrNOC16H22 ABCD16E22 -34.57 4.61 -8.9 -0.27 1
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40310 8143909 1 OSN5C19H26 ABC5D19E26 41.15 10.36 0.0 0.0 0
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40311 8143910 1 OSN5C19H25 ABC5D19E25 20.7 2.63 -8.46 -1.06 1
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40312 8143912 1 SN4C14H19 AB4C14D19 87.98 4.57 0.0 0.0 0
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40313 8143913 1 SN4C14H18 AB4C14D18 70.0 2.85 -8.25 -0.28 0
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40314 8143917 1 N2O4C15H16 A2B4C15D16 -106.53 6.76 -8.72 -1.21 0
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40315 8143918 1 BrNOC16H22 ABCD16E22 -34.95 5.25 -8.91 -0.27 0
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40316 8143920 2 ON2C6H7 AB2C6D7 54.13 5.83 -9.27 -1.39 2
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40317 8143921 2 ON2C12H16 AB2C12D16 38.14 5.11 -6.53 -0.03 0
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40318 8143923 1 ClO2N3H12C19 AB2C3D12E19 89.96 3.81 -8.78 -1.71 0
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40319 8143926 2 ON2C12H15 AB2C12D15 -33.16 2.33 -8.79 0.08 0
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40320 8143928 1 O2N5C23H27 A2B5C23D27 74.42 7.63 -9.22 -0.57 0
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40321 8143929 1 N4O6H8C11 A4B6C8D11 -141.69 0.32 -10.14 -2.38 2
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40322 8143930 1 O2N3C26H33 A2B3C26D33 24.54 4.98 -7.28 -0.03 0
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40323 8143934 1 N2O5H14C19 A2B5C14D19 -82.77 3.4 -9.03 -1.06 0
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40324 8143935 1 ClO2N3H12C19 AB2C3D12E19 87.74 4.82 -8.82 -1.7 2
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40325 8143936 1 O2N3C26H33 A2B3C26D33 34.23 4.61 -5.72 -0.04 0
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40326 8143937 1 O2N3C26H31 A2B3C26D31 -43.11 2.28 -8.47 0.16 2
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40327 8143938 1 O2N3C26H33 A2B3C26D33 -30.51 3.03 -9.04 0.11 0
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40328 8143939 1 O2N3C26H31 A2B3C26D31 -43.15 2.31 -8.48 0.16 1
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40329 8143940 1 SO2N5C18H24 AB2C5D18E24 15.04 1.95 0.0 0.0 1
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40330 8143944 1 SN5C21H26 AB5C21D26 115.93 4.23 0.0 0.0 0
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40331 8143948 1 BrN2O3H13C17 AB2C3D13E17 -1.31 3.39 -8.96 -1.06 0
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40332 8143950 1 ClSN5C20H22 ABC5D20E22 96.14 4.0 -8.33 -0.67 1
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40333 8143951 1 SN5C21H26 AB5C21D26 115.16 4.84 0.0 0.0 1
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40334 8143953 1 O2N4C17H23 A2B4C17D23 31.92 11.89 0.0 0.0 0
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40335 8143954 1 O2N4C17H22 A2B4C17D22 18.54 8.41 -9.54 -1.37 1
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40336 8143955 1 FSO2N4C21H24 ABC2D4E21F24 -0.85 5.42 0.0 0.0 0
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40337 8143956 1 FSO2N4C21H23 ABC2D4E21F23 -17.41 4.93 -8.42 -0.64 1
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40338 8143957 1 O2N4C17H23 A2B4C17D23 36.04 12.27 0.0 0.0 0
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40339 8143958 1 O2N4C17H22 A2B4C17D22 15.08 8.3 -9.4 -1.38 1
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40340 8143959 1 O2N3C20H24 A2B3C20D24 -9.47 9.62 0.0 0.0 1
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40341 8143962 1 FSO2N4C21H24 ABC2D4E21F24 -2.77 4.33 0.0 0.0 0
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40342 8143963 1 FSO2N4C21H23 ABC2D4E21F23 -15.82 2.98 -8.93 -0.54 1
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40343 8143967 1 FSO2N4C21H24 ABC2D4E21F24 2.61 4.97 0.0 0.0 1
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40344 8143969 1 O2N4C16H23 A2B4C16D23 -38.7 4.08 0.0 0.0 0
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40345 8143970 2 ON2C8H11 AB2C8D11 -49.08 8.58 -9.04 -0.44 0
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40346 8143971 1 ClSO4N5H10C16 ABC4D5E10F16 99.74 6.98 -9.58 -2.07 1
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40347 8143972 1 FSO2N4C21H24 ABC2D4E21F24 4.0 4.28 0.0 0.0 0
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40348 8143974 1 ON2C19H20 AB2C19D20 49.37 3.31 -8.13 -0.42 1
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40349 8143975 1 SO2N4C18H27 AB2C4D18E27 -63.73 4.02 0.0 0.0 0
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40350 8143976 1 SO2N4C18H26 AB2C4D18E26 -75.98 5.01 -8.59 -0.78 1
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40351 8143978 1 O3N4C22H29 A3B4C22D29 -68.6 11.17 0.0 0.0 0
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40352 8143979 1 O3N4C22H28 A3B4C22D28 -79.55 2.98 -8.34 -1.14 1
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40353 8143980 1 O2N4C17H25 A2B4C17D25 -42.49 2.26 0.0 0.0 0
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40354 8143981 1 O2N4C17H24 A2B4C17D24 -61.77 2.4 -8.25 0.06 1
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40355 8143982 1 SO2N4C20H25 AB2C4D20E25 -18.19 8.53 0.0 0.0 1
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40356 8143987 1 SN6C18H21 AB6C18D21 158.21 3.82 0.0 0.0 0
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40357 8143988 1 SN6C18H20 AB6C18D20 144.62 0.95 -8.54 -0.83 0
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40358 8143989 1 O2N3H17C18 A2B3C17D18 83.56 6.7 -8.55 -1.6 1
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40359 8143990 1 ClSO2N4C20H24 ABC2D4E20F24 -26.41 13.2 0.0 0.0 0
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40360 8143991 1 ClSO2N4C20H23 ABC2D4E20F23 -39.46 4.76 -9.03 -1.28 0
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40361 8143992 1 ClO2N3H18C24 AB2C3D18E24 50.79 6.34 -8.85 -1.05 0
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40362 8143993 1 NSO3H13C20 ABC3D13E20 -8.79 4.09 -9.08 -1.3 1
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40363 8143994 1 SN4C15H21 AB4C15D21 78.05 4.33 0.0 0.0 0
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40364 8143995 1 SN4C15H20 AB4C15D20 65.48 5.09 -8.05 0.25 1
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40365 8143996 1 SO2N4C17H25 AB2C4D17E25 -49.11 4.31 0.0 0.0 0
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40366 8143999 1 SN5C19H21 AB5C19D21 124.17 3.55 -8.29 -0.75 1
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40367 8144002 1 S2N5C21H26 A2B5C21D26 96.5 11.73 0.0 0.0 0
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40368 8144003 1 S2N5C21H25 A2B5C21D25 104.9 5.55 -8.28 -0.91 1
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40369 8144004 1 ClO2N4C16H22 AB2C4D16E22 -49.26 4.25 0.0 0.0 0
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40370 8144005 1 ClO2N4C16H21 AB2C4D16E21 -68.29 8.27 -9.27 -0.72 0
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40371 8144006 2 N2H9C10 A2B9C10 113.28 4.54 -7.78 -0.51 0
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40372 8144008 1 ClO2N3H18C19 AB2C3D18E19 -3.68 4.33 -8.59 -1.66 1
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40373 8144009 1 N4O4C18H27 A4B4C18D27 -112.44 7.99 0.0 0.0 0
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40374 8144010 2 N2O2C9H13 A2B2C9D13 -126.78 4.72 -8.61 -0.68 0
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40375 8144012 1 S2N5C21H25 A2B5C21D25 104.81 5.37 -8.33 -0.99 0
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40376 8144014 1 S2N5C20H23 A2B5C20D23 114.9 5.15 -8.2 -1.02 1
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40377 8144015 1 S2N5C22H28 A2B5C22D28 99.62 13.34 0.0 0.0 0