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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
428866 135168314 1 N2H48C75 A2B48C75 322.09 2.27 -8.0 -0.85 0
428867 135168315 2 NH24C39 AB24C39 350.92 1.33 -8.04 -0.75 0
428868 135168316 2 NH22C36 AB22C36 428.73 1.24 -7.98 -0.79 0
428869 135168317 2 NH21C35 AB21C35 324.75 1.12 -7.9 -0.8 0
428870 135168318 1 N2H48C75 A2B48C75 313.98 1.94 -7.87 -0.62 0
428871 135168319 2 NH22C36 AB22C36 322.91 0.59 -8.03 -0.8 0
428872 135168320 2 NH22C36 AB22C36 323.39 1.06 -7.99 -0.81 0
428873 135168321 1 ON2H46C74 AB2C46D74 303.74 1.01 -8.07 -0.56 0
428874 135168322 1 SN2H46C74 AB2C46D74 331.8 1.28 -8.11 -0.57 0
428875 135168323 2 NH23C38 AB23C38 342.1 0.7 -8.01 -0.73 0
428876 135168324 2 NH20C33 AB20C33 300.5 1.13 -7.99 -0.75 0
428877 135168325 1 ON2H46C74 AB2C46D74 302.61 2.58 -8.13 -0.6 0
428878 135168335 1 SN2H46C74 AB2C46D74 331.22 1.79 -8.13 -0.59 0
428879 135168336 2 NH23C36 AB23C36 319.08 0.63 -8.08 -0.54 0
428880 135168337 1 N3H47C74 A3B47C74 338.51 2.14 -7.96 -0.57 0
428881 135168338 2 NH23C37 AB23C37 323.95 0.78 -8.06 -0.6 0
428882 135168339 2 NH22C35 AB22C35 309.66 0.79 -8.06 -0.56 0
428883 135168340 1 N3H51C80 A3B51C80 364.49 3.38 -7.96 -0.58 0
428884 135168341 2 NH21C33 AB21C33 297.19 0.79 -8.02 -0.54 0
428885 135168342 2 NH22C35 AB22C35 311.82 0.54 -8.08 -0.65 0
428886 135168344 1 N2H48C71 A2B48C71 295.21 1.57 -7.99 -0.52 0
428887 135168345 1 N3H51C80 A3B51C80 362.74 2.9 -8.11 -0.58 0
428888 135168347 1 N2H48C71 A2B48C71 296.07 1.05 -7.95 -0.47 0
428889 135168384 1 N2H50C81 A2B50C81 373.79 1.98 -7.99 -0.61 0
428890 135168385 1 ON2H44C74 AB2C44D74 305.98 0.72 -7.94 -0.61 0
428891 135168394 2 NH20C31 AB20C31 278.63 1.16 -7.81 -0.62 0
428892 135168407 2 NH21C34 AB21C34 309.05 1.62 -7.69 -0.48 0
428893 135168408 2 NH21C34 AB21C34 307.15 1.19 -7.81 -0.55 0
428894 135168409 2 NH19C31 AB19C31 284.77 1.41 -7.72 -0.51 0
428895 135168410 2 NH22C36 AB22C36 324.05 1.04 -7.81 -0.57 0
428896 135168411 2 NH20C33 AB20C33 301.82 0.83 -7.8 -0.56 0
428897 135168412 1 ON2H44C74 AB2C44D74 305.22 2.15 -7.95 -0.66 0
428898 135168413 1 N2H46C71 A2B46C71 295.97 1.76 -7.74 -0.58 0
428899 135168414 2 NH23C37 AB23C37 330.92 1.77 -7.72 -0.51 0
428900 135168415 1 ON2H46C74 AB2C46D74 303.44 1.26 -7.76 -0.65 0
428901 135168416 1 ON2H46C74 AB2C46D74 302.6 1.85 -7.78 -0.59 0
428902 135168417 2 NH20C31 AB20C31 280.73 1.23 -7.72 -0.52 0
428903 135168418 2 NH22C34 AB22C34 303.98 1.25 -7.88 -0.54 0
428904 135168419 2 NH23C36 AB23C36 320.48 1.15 -7.76 -0.55 0
428905 135168420 2 NH21C33 AB21C33 298.38 1.01 -7.8 -0.55 0
428906 135168421 2 NH24C37 AB24C37 326.08 1.01 -7.75 -0.55 0
428907 135168422 1 N2H48C71 A2B48C71 292.44 1.8 -7.7 -0.5 0
428908 135168423 1 ON2H46C74 AB2C46D74 300.08 1.34 -7.64 -0.69 0
428909 135168424 1 ON2H46C74 AB2C46D74 299.38 2.0 -7.71 -0.66 0
428910 135168425 1 ON2H44C74 AB2C44D74 387.77 1.83 -8.1 -0.7 0
428911 135168426 1 ON2H44C74 AB2C44D74 401.18 0.86 -8.02 -1.1 0
428912 135168427 2 NH22C34 AB22C34 301.06 1.67 -7.81 -0.67 0
428913 135168428 2 NH22C34 AB22C34 303.59 0.86 -7.66 -0.57 0
428914 135168429 2 NH21C34 AB21C34 304.69 2.17 -7.77 -0.66 0
428915 135168430 2 NH20C31 AB20C31 277.88 1.27 -7.68 -0.6 0
428916 135168431 2 NH23C36 AB23C36 317.65 0.93 -7.66 -0.63 0
428917 135168432 2 NH19C31 AB19C31 282.57 1.07 -7.68 -0.58 0
428918 135168433 2 NH21C34 AB21C34 306.61 1.96 -7.62 -0.57 0
428919 135168434 2 NH21C33 AB21C33 296.13 0.97 -7.71 -0.6 0
428920 135168435 2 NH22C34 AB22C34 302.23 1.14 -7.65 -0.56 0
428921 135168437 2 NH22C36 AB22C36 322.59 2.26 -7.88 -0.64 0
428922 135168438 2 NH20C33 AB20C33 299.66 0.79 -7.74 -0.59 0
428923 135168439 1 N2H48C71 A2B48C71 290.39 1.84 -7.63 -0.6 0
428924 135168440 1 ON2H44C74 AB2C44D74 306.36 1.75 -7.86 -0.64 0
428925 135168441 2 NH24C37 AB24C37 324.5 1.48 -7.7 -0.65 0
428926 135168442 2 NH23C37 AB23C37 330.14 1.51 -7.69 -0.56 0
428927 135168443 2 NH21C34 AB21C34 309.77 1.11 -7.59 -0.48 0
428928 135168444 1 N2H46C71 A2B46C71 294.3 1.37 -7.55 -0.52 0
428929 135168445 1 ON2H44C74 AB2C44D74 304.86 2.82 -7.87 -0.67 0
428930 135168446 2 NH22C36 AB22C36 323.75 1.31 -7.8 -0.62 0
428931 135168447 2 NH21C34 AB21C34 306.64 0.51 -7.78 -0.58 0
428932 135168448 2 NH19C31 AB19C31 284.27 0.88 -7.68 -0.55 0
428933 135168449 2 NH21C34 AB21C34 307.35 0.88 -7.71 -0.55 0
428934 135168450 1 ON2H46C74 AB2C46D74 302.92 2.0 -7.94 -0.66 0
428935 135168451 2 NH20C33 AB20C33 301.61 0.41 -7.73 -0.54 0
428936 135168452 2 NH23C37 AB23C37 329.63 1.54 -7.72 -0.6 0
428937 135168453 1 N2H46C71 A2B46C71 295.9 1.33 -7.72 -0.61 0
428938 135168463 2 NH23C36 AB23C36 404.61 2.45 -8.06 -1.06 0
428939 135168465 1 N2H48C71 A2B48C71 292.35 1.05 -7.73 -0.59 0
428940 135168466 1 ON2H44C74 AB2C44D74 302.69 0.4 -7.95 -0.67 0