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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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149277 53788949 1 SN3O5C37H41 AB3C5D37E41 -133.53 8.34 -8.52 -0.86 0
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149278 53788950 1 SN3O5C37H41 AB3C5D37E41 -136.93 9.34 -8.68 -0.86 0
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149279 53788951 1 NO3C12H13 AB3C12D13 -33.55 0.98 -8.14 -0.52 0
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149280 53788952 1 N3O4C25H27 A3B4C25D27 -137.83 6.82 -8.87 -0.96 0
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149281 53788953 2 OF4C20H26 AB4C20D26 -549.95 8.72 -9.63 -0.96 0
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149282 53788954 1 SiC21H30 AB21C30 -13.93 0.53 -8.37 0.86 0
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149283 53788955 1 SN4O5C16H20 AB4C5D16E20 -69.63 13.08 -8.56 -1.01 0
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149284 53788956 1 NO2C17H27 AB2C17D27 -73.55 1.86 -8.32 0.39 0
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149285 53788957 1 FN2O6C33H35 AB2C6D33E35 -195.86 5.62 -9.09 -0.6 0
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149286 53788958 23 CH2 AB2 -101.54 0.63 -9.08 1.57 0
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149287 53788959 1 ClN3H12C15 AB3C12D15 96.84 4.97 -8.98 -1.34 0
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149288 53788960 1 NO4C24H29 AB4C24D29 -117.24 5.86 -8.08 -1.0 1
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149289 53788961 1 ON3C10H18 AB3C10D18 21.9 3.76 0.0 0.0 0
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149290 53788962 1 ON2C13H14 AB2C13D14 13.3 3.93 -8.01 -0.46 0
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149291 53788963 1 SiS2O3N4C33H36 AB2C3D4E33F36 -55.37 1.73 -8.68 -0.96 0
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149292 53788964 1 SN4O4C31H34 AB4C4D31E34 -53.89 7.1 -9.04 -1.16 0
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149293 53788965 1 PN2O3C9H23 AB2C3D9E23 -174.17 1.67 -9.22 0.77 1
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149294 53788966 1 SN5O5C20H26 AB5C5D20E26 -104.94 4.89 0.0 0.0 0
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149295 53788967 1 FN5O5H28C29 AB5C5D28E29 -132.06 5.06 -9.4 -1.21 0
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149296 53788968 1 FSN2O3C26H29 ABC2D3E26F29 -102.85 2.93 -8.12 -1.0 0
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149297 53788969 1 NO3C27H27 AB3C27D27 -18.91 2.8 -8.42 -0.36 0
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149298 53788970 1 O3N4C20H22 A3B4C20D22 -55.49 7.55 -9.01 -0.94 0
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149299 53788971 2 NOC6H6 ABC6D6 -18.97 5.4 -8.58 -0.28 0
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149300 53788972 1 O4C23H32 A4B23C32 -83.04 2.8 -7.87 -0.33 0
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149301 53788973 1 OC13H20 AB13C20 -63.96 3.84 -9.76 0.85 0
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149302 53788974 1 ON3H13C17 AB3C13D17 52.86 1.87 -9.07 -1.16 0
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149303 53788975 1 ON4C16H26 AB4C16D26 -34.95 3.14 -8.99 0.18 0
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149304 53788976 1 NOH11C12 ABC11D12 5.63 4.28 -8.95 -0.39 0
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149306 53788978 1 ClN2O2F3H12C15 AB2C2D3E12F15 -135.29 3.71 -9.09 -1.28 0
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149307 53788979 1 O4C25H32 A4B25C32 -140.07 2.96 -8.61 -0.06 0
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149308 53788980 1 NO5C15H21 AB5C15D21 -205.31 2.61 -8.96 -0.01 0
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149309 53788981 1 O4N7C26H33 A4B7C26D33 -97.01 4.72 -9.28 -0.69 0
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149310 53788982 1 BrN2O3C23H27 AB2C3D23E27 -100.6 3.23 -8.3 -0.75 0
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149311 53788983 1 PC5O7H9 AB5C7D9 -360.74 5.18 -11.11 -0.28 0
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149312 53788984 1 FNO3H12C16 ABC3D12E16 -108.34 6.18 -9.32 -1.04 0
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149313 53788985 1 O2N4C9H10 A2B4C9D10 1.38 10.3 -9.34 -0.87 0
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149314 53788986 1 O2N4C29H30 A2B4C29D30 13.38 5.79 -7.77 -0.96 0
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149315 53788987 1 NO3C21H35 AB3C21D35 -186.68 5.12 -9.14 1.52 0
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149316 53788988 1 N3O4C22H27 A3B4C22D27 -120.86 5.41 -8.64 -0.56 0
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149317 53788989 1 NPSO2C10H22 ABCD2E10F22 -169.98 3.36 -8.78 0.34 0
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149318 53788990 1 ON5C13H17 AB5C13D17 13.54 2.05 -8.7 0.04 0
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149319 53788991 1 F2O3N4C20H22 A2B3C4D20E22 -159.8 12.23 -8.77 -0.84 0
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149320 53788992 1 SO2Cl3H7C9 AB2C3D7E9 -59.57 2.59 -9.74 -2.08 0
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149321 53788993 1 N4O5H14C15 A4B5C14D15 -52.85 3.36 -8.92 -2.32 0
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149322 53788994 1 N4O4C17H18 A4B4C17D18 -79.25 10.45 -9.24 -0.4 0
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149323 53788995 1 N2Cl3C11H13 A2B3C11D13 18.4 2.22 -9.43 -1.26 0
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149324 53788996 1 SN6O9C39H44 AB6C9D39E44 -235.92 3.53 -8.6 -0.58 0
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149325 53788997 1 ClS2O3N7C15H20 AB2C3D7E15F20 46.46 5.03 -8.91 -0.81 0
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149326 53788998 1 SN3O7C18H19 AB3C7D18E19 -234.78 6.99 -9.39 -0.79 0
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149327 53788999 1 SN2O7C10H10 AB2C7D10E10 -246.01 3.37 -9.88 -1.18 0
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149328 53789000 1 NO8H9C12 AB8C9D12 -280.03 2.16 -8.11 -0.9 0
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149329 53789001 1 SO2C16H16 AB2C16D16 -35.79 5.2 -9.4 0.0 0
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149330 53789002 1 SiO2C14H31 AB2C14D31 -175.8 1.14 0.0 0.0 0
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149331 53789003 1 O3N4C17H18 A3B4C17D18 11.55 4.46 -8.65 -0.82 0
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149332 53789004 1 SC4N4H6O6 AB4C4D6E6 -247.67 5.04 -9.52 -1.59 0
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149333 53789005 1 ClSN3O6C29H32 ABC3D6E29F32 -206.59 6.19 -9.89 -1.2 0
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149334 53789006 1 NC13H27 AB13C27 -55.12 1.81 -9.03 3.75 0
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149335 53789007 1 C11F14 A11B14 -645.97 1.84 -11.31 -2.27 0
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149336 53789008 1 IN2O10C32H41 AB2C10D32E41 -387.66 4.61 -9.77 -1.47 0
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149337 53789009 1 O3H9C10F11 A3B9C10D11 -696.66 3.09 -10.43 -1.32 0
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149338 53789010 1 O2N5C26H27 A2B5C26D27 38.92 6.93 -9.26 -0.76 0
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149339 53789011 2 ON2C14H15 AB2C14D15 0.89 6.67 -8.1 -0.65 0
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149340 53789012 1 NO6H9C10 AB6C9D10 -232.44 5.52 -10.81 -1.01 0
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149341 53789013 1 O2F3N3H6C7 A2B3C3D6E7 -226.24 7.26 -10.35 -1.3 0
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149342 53789014 1 N2O5C12H18 A2B5C12D18 -224.68 9.75 -9.92 -0.21 0
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149343 53789015 1 NO3C23H31 AB3C23D31 -117.0 3.76 -8.51 0.22 0
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149344 53789016 1 OC18H34 AB18C34 -103.41 3.37 -10.06 0.46 0
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149345 53789017 1 SN2O2C28H28 AB2C2D28E28 13.0 3.99 -9.1 -0.75 0
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149346 53789018 1 BrPCl2O2S2C9H18 ABC2D2E2F9G18 -217.07 0.69 -9.68 -0.83 0
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149347 53789019 1 F3O3N5H26C28 A3B3C5D26E28 -182.01 3.25 -9.81 -1.15 1
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149348 53789020 1 OF3N5C24H27 AB3C5D24E27 -70.68 5.11 0.0 0.0 0
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149349 53789021 1 ClNP2O7C9H14 ABC2D7E9F14 -400.6 4.32 -9.62 -0.4 0
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149350 53789022 1 FO2N4C16H17 AB2C4D16E17 -75.07 10.34 -8.99 -1.05 0
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149351 53789023 1 O2N3C21H29 A2B3C21D29 -59.15 2.91 -8.95 -0.32 0
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149352 53789024 1 NSiO4C14H33 ABC4D14E33 -309.01 5.01 -9.06 0.84 0
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149353 53789025 1 NSO4C23H31 ABC4D23E31 -140.97 4.12 -9.62 -0.78 0
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149354 53789026 1 O3N4C36H52 A3B4C36D52 -117.0 2.4 -8.63 0.19 0
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149355 53789027 2 OC6H9 AB6C9 -74.11 1.89 -9.7 0.48 0
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149356 53789028 1 ON3C13H13 AB3C13D13 19.11 5.45 -8.69 -0.59 0
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149357 53789029 1 O3C25H34 A3B25C34 -144.42 3.86 -9.33 -0.08 0
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149358 53789030 1 FON3C19H26 ABC3D19E26 -76.9 5.52 -8.58 -0.6 0
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149359 53789031 1 O3N4C18H20 A3B4C18D20 -54.33 7.59 -8.79 -1.29 0
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149360 53789032 1 PSO5C12H17 ABC5D12E17 -270.67 4.27 -9.41 -0.18 0
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149361 53789033 1 NO3H7C10 AB3C7D10 -71.52 3.03 -9.63 -1.5 0
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149362 53789034 1 NO2F3H6C9 AB2C3D6E9 -134.15 2.04 -8.69 -0.8 0
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149363 53789035 1 BrC19H21 AB19C21 21.41 3.08 -8.97 -0.38 0
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149364 53789036 1 NO2C12H17 AB2C12D17 -71.76 1.97 -8.89 0.06 0
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149365 53789037 1 SO3C37H62 AB3C37D62 -175.31 5.26 -8.65 0.36 0
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149366 53789038 1 N2O7C13H18 A2B7C13D18 -295.47 3.69 -9.83 -0.71 0
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149367 53789039 1 N2O3C17H18 A2B3C17D18 -68.39 7.31 -9.28 -0.98 0
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149368 53789040 1 S2O8N11C53H69 A2B8C11D53E69 -314.09 9.11 -8.81 -1.52 0
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149369 53789041 1 N2Cl3O4H11C12 A2B3C4D11E12 -133.06 2.08 -10.29 -1.84 0
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149370 53789042 1 SN2O4C21H30 AB2C4D21E30 -143.87 6.07 -9.25 -0.55 0
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149371 53789043 1 PN2H23C24 AB2C23D24 90.48 2.17 -8.4 -0.69 0
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149372 53789044 1 NC5H5 AB5C5 64.74 2.93 -9.93 -1.06 0
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149373 53789045 1 F2N4O4C37H42 A2B4C4D37E42 -199.86 6.04 -9.14 -0.76 0
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149374 53789046 1 ClO3C12H15 AB3C12D15 -130.0 4.6 -9.37 -0.54 0
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149375 53789047 1 OC10H16 AB10C16 -37.18 1.42 -9.22 0.21 0
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149376 53789048 1 O4H18C19 A4B18C19 -91.91 7.76 -9.08 -0.98 0
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149377 53789049 1 O2C17H24 A2B17C24 -101.37 3.94 -8.46 0.4 0