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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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1915 5334 1 SN3O5H13C14 AB3C5D13E14 -89.68 9.79 -9.46 -1.19 0
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1916 5335 1 SO2N4H14C15 AB2C4D14E15 21.51 9.45 -9.06 -0.49 0
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1917 5340 1 O2S2N3C9H9 A2B2C3D9E9 -19.88 9.22 -8.55 -0.66 0
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1918 5341 1 O2S2N3C7H9 A2B2C3D7E9 -48.1 6.32 -9.13 -0.54 0
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1919 5343 1 SO2N4C12H14 AB2C4D12E14 -39.98 6.8 -9.19 -0.29 0
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1920 5345 2 SBr2H5O5C10 AB2C5D5E10 -316.28 4.29 -10.1 -2.01 0
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1921 5350 1 NOS2C6H11 ABC2D6E11 -5.03 4.88 -8.65 -0.07 0
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1922 5354 1 NOSC20H35 ABCD20E35 -84.18 5.14 -8.65 -0.13 0
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1923 5358 1 SO2N3C14H21 AB2C3D14E21 -48.82 2.54 -8.36 -0.02 0
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1924 5359 1 SO3H12C14 AB3C12D14 -71.54 3.98 -9.55 -1.2 0
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1925 5360 1 N6Na6S6O23H34C51 A6B6C6D23E34F51 -601.66 97.73 -3.55 -2.77 0
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1926 5361 1 N6S6O23H40C51 A6B6C23D40E51 -754.78 7.83 -9.47 -2.34 0
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1927 5362 2 NO3C12H13 AB3C12D13 -202.87 2.63 -8.94 -0.42 0
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1928 5368 1 N5O7H29C31 A5B7C29D31 -130.63 4.26 -8.67 -1.11 0
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1929 5374 1 SN3C10H15 AB3C10D15 41.73 1.6 -8.67 -0.24 0
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1930 5375 1 O5N7C17H23 A5B7C17D23 -194.2 8.17 -9.21 -0.3 0
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1931 5377 1 NO2C26H29 AB2C26D29 -14.25 2.26 -8.51 0.16 0
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1932 5379 1 FN3O4C19H22 AB3C4D19E22 -146.59 12.5 -9.15 -1.29 0
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1933 5381 1 NSO2C21H21 ABC2D21E21 -1.65 5.65 -8.42 -1.27 0
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1935 5386 1 FN2O3C8H9 AB2C3D8E9 -162.58 5.39 -9.98 -0.84 0
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1936 5387 1 SO2N4C19H22 AB2C4D19E22 -24.72 6.03 -8.6 -0.69 0
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1937 5392 1 P2S3O6C16H20 A2B3C6D16E20 -342.7 3.99 -8.62 -0.62 0
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1938 5395 1 NO2C9H19 AB2C9D19 -101.69 1.75 -9.33 1.6 0
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1939 5398 2 N2O2C11H15 A2B2C11D15 -152.35 1.47 -9.46 -0.49 0
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1940 5399 1 OC23H38 AB23C38 -73.54 3.87 -9.0 0.83 0
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1941 5400 1 NOC12H15 ABC12D15 -14.27 3.96 -8.87 -0.51 0
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1942 5401 1 O4N5C19H25 A4B5C19D25 -106.68 2.71 -8.21 -0.44 0
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1943 5404 1 Cl2O3N5C26H31 A2B3C5D26E31 -39.25 4.88 -8.28 -0.78 0
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1944 5405 1 NO2C32H41 AB2C32D41 -57.52 2.74 -8.5 0.08 0
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1945 5406 1 ON4C20H28 AB4C20D28 -22.8 3.95 -8.19 0.22 0
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1946 5407 1 O3C19H24 A3B19C24 -134.44 5.37 -10.0 -0.61 0
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1947 5409 1 O3C26H40 A3B26C40 -192.82 4.62 -9.75 0.04 0
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1948 5410 1 O3C22H32 A3B22C32 -174.2 6.74 -9.74 0.04 0
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1949 5412 2 NO4C11H12 AB4C11D12 -302.26 2.92 -8.95 -1.08 0
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1950 5413 1 NC8H20 AB8C20 3.3 0.02 0.0 0.0 1
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1951 5414 1 O5C16H34 A5B16C34 -258.93 6.12 -9.18 1.62 0
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1952 5415 1 SN6O8C37H42 AB6C8D37E42 -288.47 9.5 -8.74 -0.44 0
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1953 5417 1 NO4C21H25 AB4C21D25 -110.36 3.96 -8.07 0.28 0
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1954 5418 1 NO4C20H25 AB4C20D25 -112.45 3.85 -8.11 0.15 0
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1955 5420 1 P2O3N4C12H32 A2B3C4D12E32 -312.25 4.78 -9.35 0.66 0
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1956 5421 3 NOC8H8 ABC8D8 -44.36 1.81 0.0 0.0 1
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1957 5422 2 NO3C19H21 AB3C19D21 -120.6 6.7 -7.92 0.09 0
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1958 5423 1 O3C16H26 A3B16C26 -136.79 4.03 -9.7 -0.37 0
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1959 5424 2 H2C3O3 A2B3C3 -183.81 1.82 -9.68 -2.28 0
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1960 5426 1 N2O4H10C13 A2B4C10D13 -132.51 6.55 -10.49 -1.74 0
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1961 5428 2 O6C17H25 A6B17C25 -556.26 8.98 -9.5 0.21 0
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1962 5429 1 O2N4C7H8 A2B4C7D8 -49.49 4.66 -9.25 -0.68 0
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1963 5437 1 NSO2C3H3 ABC2D3E3 -82.89 2.08 -10.13 -1.03 0
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1964 5438 1 SN3C8H8 AB3C8D8 56.36 3.75 0.0 0.0 1
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1965 5443 1 SO2H6C7 AB2C6D7 -58.18 6.17 -9.37 -0.89 0
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1966 5444 1 SP3N7O16C21H27 AB3C7D16E21F27 -674.39 24.02 0.0 0.0 -1
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1967 5451 1 SP3N6C12O13H19 AB3C6D12E13F19 -699.24 2.57 -9.16 -1.33 0
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1968 5452 1 N2S2C21H26 A2B2C21D26 35.85 2.31 -7.61 -0.22 0
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1969 5455 2 NS2C3H6 AB2C3D6 39.9 4.15 -8.51 -1.86 0
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1970 5463 1 PN2O8C10H15 AB2C8D10E15 -411.45 4.76 -9.69 -0.52 0
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1971 5464 1 PN2O7C10H13 AB2C7D10E13 -349.02 2.78 -9.87 -0.72 0
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1972 5472 1 ClNSC14H14 ABCD14E14 43.11 0.94 -8.74 -0.11 0
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1973 5474 1 N2O3C17H24 A2B3C17D24 -112.7 4.59 -8.3 -0.54 0
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1974 5475 1 N2O3C25H34 A2B3C25D34 -76.3 2.78 -8.32 -1.03 0
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1975 5477 1 FOSN3C22H24 ABCD3E22F24 -15.44 2.76 -8.69 -0.74 0
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1976 5480 1 SN2O2C17H20 AB2C2D17E20 -54.26 1.5 -8.52 -0.27 0
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1977 5481 2 O4C18H19 A4B18C19 -206.01 1.58 -7.18 -0.45 0
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1978 5482 1 OSN2Cl3H13C16 ABC2D3E13F16 26.71 3.38 -9.39 -0.91 0
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1979 5484 1 NS2C15H17 AB2C15D17 58.47 1.36 -8.8 -0.18 0
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1980 5485 1 NS2C19H24 AB2C19D24 71.74 5.79 0.0 0.0 1
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1981 5489 1 N3O5C25H33 A3B5C25D33 -206.29 5.42 -9.34 -0.14 0
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1982 5492 1 NOF3C11H13 ABC3D11E13 -143.75 16.01 0.0 0.0 1
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1983 5495 1 SN2O3C16H20 AB2C3D16E20 -113.34 3.99 -8.95 -0.85 0
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1984 5496 1 N5O9C18H37 A5B9C18D37 -415.5 3.2 -9.38 0.93 0
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1985 5506 1 NOSC20H21 ABCD20E21 23.01 3.33 -8.58 -0.32 0
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1986 5508 1 NO3H14C15 AB3C14D15 -62.16 5.48 0.0 0.0 -1
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1987 5509 1 NO3C15H15 AB3C15D15 -86.98 5.91 -9.48 -0.71 0
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1988 5510 1 NOSH17C19 ABCD17E19 35.6 3.78 -8.69 -0.57 0
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1989 5511 1 NOC16H23 ABC16D23 -41.11 3.27 -8.61 -0.38 0
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1990 5514 1 NSO8C12H21 ABC8D12E21 -359.22 5.66 -10.48 -0.35 0
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1991 5516 1 ClNOC26H28 ABCD26E28 24.41 3.79 -8.7 0.21 0
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1992 5517 1 F3O3N4H15C19 A3B3C4D15E19 -187.38 13.25 -9.26 -1.2 0
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1993 5523 1 NO2C16H25 AB2C16D25 -82.88 3.2 -8.7 0.25 0
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1994 5525 1 N2O5C24H34 A2B5C24D34 -233.9 4.42 -9.35 0.22 0
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1995 5528 2 OC5H7 AB5C7 -79.12 3.77 -9.71 0.21 0
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1996 5529 1 N5O5C15H21 A5B5C15D21 -150.86 2.09 -8.91 -0.5 0
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1997 5532 1 N4O6C33H40 A4B6C33D40 -182.15 2.21 -9.51 -0.15 0
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1998 5534 2 NC6H10 AB6C10 48.32 0.19 -8.56 1.56 0
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1999 5536 2 O3C8H11 A3B8C11 -250.55 10.49 -8.96 -0.82 0
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2000 5540 1 BSN5O5C22H34 ABC5D5E22F34 -274.02 4.95 -9.37 -0.15 0
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2001 5542 1 ON3C11H17 AB3C11D17 69.25 4.45 -9.02 -0.9 0
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2002 5543 1 NOSCl3C10H16 ABCD3E10F16 -81.31 4.1 -9.36 -0.72 0
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2003 5546 1 N7H11C12 A7B11C12 100.74 2.99 -8.76 -0.66 0
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2004 5548 3 OC11H16 AB11C16 15.97 3.8 -9.46 -0.64 0
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2005 5558 1 CHBr3 ABC3 12.39 0.99 -10.75 -1.4 0
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2006 5560 1 S2Cl3N3O4C8H8 A2B3C3D4E8F8 -146.26 5.37 -10.07 -1.21 0
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2007 5563 1 PC2Cl3H4O4 AB2C3D4E4 -263.06 2.12 -11.38 -0.8 0
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2008 5564 1 O2Cl3H7C12 A2B3C7D12 -52.49 1.19 -9.38 -0.84 0
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2009 5566 1 SF3N3C21H24 AB3C3D21E24 -112.55 3.67 -7.94 -0.75 0
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2010 5570 1 NO2C7H7 AB2C7D7 -25.93 14.92 -9.32 -1.79 0
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2011 5571 1 NO2C7H8 AB2C7D8 -52.53 6.78 0.0 0.0 1
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2012 5580 1 N2C9H15 A2B9C15 51.45 1.43 0.0 0.0 1
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2013 5584 2 NC10H13 AB10C13 36.87 2.97 -7.74 0.37 0
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2014 5585 1 O3H12C14 A3B12C14 -84.69 6.71 -8.85 -1.0 0
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2015 5586 1 ClSN3O3C16H20 ABC3D3E16F20 -78.21 5.9 -8.97 -1.13 0