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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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382847 134974235 1 FO2C18H23 AB2C18D23 -150.37 5.26 -9.93 -0.15 0
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382848 134974236 2 OC9H11 AB9C11 -21.46 4.64 -8.3 -0.33 0
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382849 134974238 2 OC9H11 AB9C11 -28.55 4.98 -8.88 -0.13 0
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382850 134974239 1 N3O5C6H11 A3B5C6D11 -49.4 5.24 -9.81 -1.03 0
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382851 134974240 1 ON2C23H28 AB2C23D28 32.9 1.34 -8.31 0.23 0
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382852 134974241 1 NO3C7H9 AB3C7D9 -36.37 4.74 -10.62 -0.83 0
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382853 134974243 1 O4C21H40 A4B21C40 -252.05 3.19 -10.02 -0.24 0
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382854 134974245 1 NF3O3C8H10 AB3C3D8E10 -277.9 4.25 -10.26 -0.51 0
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382855 134974246 1 N3O3C18H19 A3B3C18D19 -45.53 4.55 -8.76 -0.3 0
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382856 134974247 1 N2O3H16C18 A2B3C16D18 -43.92 4.0 -9.66 -0.83 0
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382858 134974252 1 N2S2O4C23H36 A2B2C4D23E36 -170.83 5.46 -8.26 -0.02 0
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382859 134974255 1 ClOSH2N5C7 ABCD2E5F7 98.79 5.73 -9.36 -2.27 0
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382860 134974256 1 OSN5C14H17 ABC5D14E17 43.27 6.58 -8.66 -0.64 0
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382861 134974257 1 NSO6C19H19 ABC6D19E19 -213.78 4.9 -9.73 -0.7 0
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382862 134974258 1 O3H10C17 A3B10C17 -16.88 3.35 -9.81 -1.49 0
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382863 134974261 1 NO3C19H23 AB3C19D23 -52.33 2.88 -9.02 0.14 0
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382864 134974262 1 NO2C14H21 AB2C14D21 -49.38 2.46 -9.08 -0.28 0
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382866 134974264 1 LiNO2C23H28 ABC2D23E28 -61.21 9.32 -7.85 0.74 0
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382867 134974265 1 NO2C23H29 AB2C23D29 -31.68 3.88 -8.73 0.41 0
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382868 134974266 1 SC20H22 AB20C22 25.08 2.15 -8.32 -0.21 0
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382869 134974267 1 SC20H20 AB20C20 31.2 2.34 -8.18 -0.17 0
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382870 134974268 1 N2O5C21H30 A2B5C21D30 -244.32 2.91 -9.36 0.03 0
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382871 134974270 1 Si2O3C19H44 A2B3C19D44 -216.7 1.22 -8.95 -0.23 0
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382872 134974273 1 N5O9C24H27 A5B9C24D27 -258.84 2.1 -9.8 -1.02 0
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382873 134974274 1 NO4H29C30 AB4C29D30 -7.37 9.11 -9.16 -1.36 0
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382874 134974275 1 NO2C30H31 AB2C30D31 -4.0 2.48 -8.19 -0.28 1
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382875 134974277 1 NOSC7H10 ABCD7E10 5.5 3.25 0.0 0.0 0
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382876 134974279 1 NO6C18H25 AB6C18D25 -221.57 1.98 -9.23 0.26 0
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382877 134974281 1 NO4C18H19 AB4C18D19 -126.5 4.69 -9.76 -0.22 0
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382878 134974282 1 O4C19H24 A4B19C24 -159.54 5.44 -9.37 0.37 0
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382879 134974285 1 NO4C14H17 AB4C14D17 -76.69 5.24 -10.2 -1.27 0
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382880 134974288 1 SiO3C23H30 AB3C23D30 -155.93 2.44 -8.81 -0.63 0
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382881 134974289 1 O3C17H24 A3B17C24 -95.76 3.75 -9.45 0.32 0
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382882 134974290 1 NO2C23H27 AB2C23D27 28.54 3.19 -8.85 0.05 -1
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382883 134974291 1 TiO2H17C21 AB2C17D21 5.57 3.83 0.0 0.0 0
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382884 134974292 1 O2C13H18 A2B13C18 -88.3 1.68 -9.44 0.29 0
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382885 134974294 1 O4H14C19 A4B14C19 -83.27 5.48 -9.44 -1.45 0
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382886 134974295 1 SiO4C20H24 AB4C20D24 -186.51 0.85 -9.55 -1.56 0
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382887 134974296 1 O4H16C17 A4B16C17 -131.61 1.0 -9.81 -1.67 0
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382888 134974299 2 O8C14H19 A8B14C19 -684.05 3.26 -10.2 0.39 2
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382889 134974305 1 N2O3C29H40 A2B3C29D40 -75.87 3.96 -6.21 -0.18 0
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382890 134974311 1 CuSi2N4O6C19H40 AB2C4D6E19F40 -183.59 4.27 0.0 0.0 0
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382891 134974312 1 N2O3C16H22 A2B3C16D22 -127.76 2.09 -9.22 0.18 0
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382892 134974316 1 SiSnF2C20H42 ABC2D20E42 -173.61 0.41 -9.3 0.63 0
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382893 134974319 1 ON2C19H22 AB2C19D22 6.43 4.82 -8.96 0.37 0
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382894 134974324 1 ON2C21H26 AB2C21D26 -2.93 4.98 -8.92 0.41 0
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382895 134974326 1 O5H32C34 A5B32C34 -40.42 0.61 -8.67 -0.21 0
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382896 134974327 2 OC6H10 AB6C10 -88.52 1.94 -10.14 -0.5 0
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382897 134974328 3 C9H16 A9B16 -100.19 0.12 -9.87 3.74 0
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382898 134974329 1 FC27H47 AB27C47 -154.46 2.26 -10.07 3.14 0
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382899 134974331 1 O5C23H34 A5B23C34 -259.57 4.19 -9.6 0.73 1
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382900 134974332 1 N2H29C31 A2B29C31 126.08 2.28 0.0 0.0 0
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382901 134974333 1 BNSiO4C21H34 ABCD4E21F34 -114.79 4.32 -7.88 0.24 0
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382902 134974334 1 ON4C38H40 AB4C38D40 173.48 4.24 -7.63 -0.93 0
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382903 134974335 1 O2N4C29H34 A2B4C29D34 3.24 5.74 -8.47 -1.48 0
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382904 134974336 1 O2N4C29H34 A2B4C29D34 1.14 5.55 -8.23 -1.48 -1
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382906 134974339 1 OC17H24 AB17C24 -42.24 2.37 -8.86 0.52 0
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382907 134974340 1 NO2S2H23C24 AB2C2D23E24 -9.25 2.17 -8.69 -0.86 0
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382909 134974344 1 ClHgO4C24H27 ABC4D24E27 -59.63 2.04 -9.57 -0.67 0
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382910 134974345 1 BrIOC10H12 ABCD10E12 -12.02 3.18 -9.77 -2.03 0
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382911 134974348 1 NO6C20H21 AB6C20D21 -135.21 5.16 -8.66 -0.68 0
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382912 134974349 1 NO4C18H19 AB4C18D19 -101.18 1.52 -8.23 0.12 0
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382913 134974351 1 IO4C11H15 AB4C11D15 -155.48 4.41 -10.12 -1.28 0
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382915 134974354 1 S2O6C14H19 A2B6C14D19 -230.44 2.55 0.0 0.0 0
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382916 134974355 1 NSiO4C27H41 ABC4D27E41 -242.39 1.69 -8.89 -0.05 0
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382917 134974356 1 NOSiC19H35 ABCD19E35 -130.8 1.85 -8.77 1.32 0
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382918 134974357 1 INOSiC19H34 ABCDE19F34 -14.03 1.81 -8.74 -0.57 0
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382919 134974358 1 N2O3H12C15 A2B3C12D15 -49.66 8.91 -8.15 -1.01 0
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382920 134974359 1 NOSH15C22 ABCD15E22 48.7 5.07 -8.85 -1.02 0
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382921 134974360 2 SO2H16C17 AB2C16D17 -1.13 2.6 -8.32 -0.95 0
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382922 134974361 1 O3C19H30 A3B19C30 -126.39 6.03 -9.07 0.56 0
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382923 134974362 1 NS2O3H19C22 AB2C3D19E22 -8.48 3.73 -8.5 -0.54 0
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382924 134974363 2 O2C9H17 A2B9C17 -210.91 3.8 -9.33 1.23 0
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382925 134974364 1 O5C21H34 A5B21C34 -242.0 7.34 -9.29 -0.16 0
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382926 134974365 1 O3C19H30 A3B19C30 -126.05 6.66 -9.29 0.28 0
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382927 134974367 1 SN2C21H22 AB2C21D22 63.05 5.09 -8.15 -0.7 0
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382928 134974368 1 N3H9C13 A3B9C13 107.02 5.16 -9.64 -1.05 0
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382929 134974369 1 NO6H25C28 AB6C25D28 -99.0 2.59 -9.33 -1.47 0
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382930 134974371 1 NOSiC23H33 ABCD23E33 -53.87 1.69 -8.85 0.34 0
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382931 134974373 2 O2H9C12 A2B9C12 -54.15 2.38 -9.77 -0.9 0
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382932 134974374 1 O5C14H24 A5B14C24 -265.52 1.7 -10.09 1.47 0
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382933 134974375 1 O3C9H10 A3B9C10 -98.19 5.13 -10.12 -0.73 0
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382934 134974376 2 SiO2N4C14H22 AB2C4D14E22 -113.46 7.06 -8.81 -1.15 0
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382935 134974377 1 NaSN3H4O4C7 ABC3D4E4F7 -112.59 6.39 -9.68 -1.39 0
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382936 134974379 2 O4C17H21 A4B17C21 -266.68 6.89 -8.67 -0.32 0
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382937 134974380 1 O7C34H44 A7B34C44 -229.18 5.05 -8.66 0.17 0
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382938 134974381 2 O3C14H16 A3B14C16 -195.39 1.4 -9.07 -0.21 0
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382939 134974382 1 O5C24H28 A5B24C28 -158.59 4.47 -9.2 0.26 0
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382940 134974383 1 SiO5C24H40 AB5C24D40 -276.09 3.07 -8.61 -0.14 0
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382941 134974385 1 Si2O3C26H50 A2B3C26D50 -262.58 1.01 -8.81 0.58 0
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382942 134974386 1 SiN2O3C16H24 AB2C3D16E24 -109.36 1.69 -9.08 -0.08 0
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382943 134974388 1 NO2H17C21 AB2C17D21 -12.11 4.82 -8.75 -0.71 0
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382944 134974389 1 ION2H21C22 ABC2D21E22 59.18 5.52 -8.43 -0.82 0
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382945 134974391 1 NOH19C26 ABC19D26 53.65 3.29 -8.72 -0.83 0
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382946 134974392 1 ClNOH14C20 ABCD14E20 23.8 4.26 -8.78 -0.96 1
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382947 134974393 1 NSO2C11H14 ABC2D11E14 -32.19 5.25 0.0 0.0 0
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382948 134974394 1 NSO2C11H13 ABC2D11E13 -55.61 4.97 -9.17 -0.5 0
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382949 134974397 1 BrO15C25H35 AB15C25D35 -694.08 4.0 -10.33 -0.57 0
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382950 134974398 1 NO3C13H23 AB3C13D23 -135.76 1.77 -9.72 0.58 1
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382951 134974399 1 SiN2O3C41H57 AB2C3D41E57 -153.35 4.04 0.0 0.0 0