\n", " | feature_0 | \n", "feature_1 | \n", "feature_2 | \n", "feature_3 | \n", "feature_4 | \n", "feature_5 | \n", "feature_6 | \n", "feature_7 | \n", "feature_8 | \n", "feature_9 | \n", "... | \n", "homo | \n", "lumo | \n", "gap | \n", "r2 | \n", "zpve | \n", "U0 | \n", "U | \n", "H | \n", "G | \n", "Cv | \n", "
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
O3NC4H5 | \n", "134.383049 | \n", "73.277431 | \n", "65.565220 | \n", "41.205339 | \n", "37.971360 | \n", "28.562170 | \n", "22.148475 | \n", "19.541456 | \n", "0.346183 | \n", "0.246778 | \n", "... | \n", "-0.2528 | \n", "-0.0077 | \n", "0.2451 | \n", "1012.1864 | \n", "0.095653 | \n", "-435.725372 | \n", "-435.718189 | \n", "-435.717245 | \n", "-435.757266 | \n", "26.019 | \n", "
FONC6H4 | \n", "135.762122 | \n", "85.192934 | \n", "61.375654 | \n", "38.789150 | \n", "36.309109 | \n", "26.515954 | \n", "23.003822 | \n", "20.931525 | \n", "18.664159 | \n", "0.345873 | \n", "... | \n", "-0.2604 | \n", "-0.0789 | \n", "0.1815 | \n", "1188.6441 | \n", "0.089534 | \n", "-460.774434 | \n", "-460.767413 | \n", "-460.766468 | \n", "-460.806377 | \n", "25.848 | \n", "
O2N2C5H4 | \n", "139.214113 | \n", "74.417269 | \n", "49.828916 | \n", "45.674170 | \n", "37.000238 | \n", "26.233309 | \n", "24.539204 | \n", "23.079536 | \n", "19.039277 | \n", "0.343824 | \n", "... | \n", "-0.2324 | \n", "-0.0468 | \n", "0.1856 | \n", "945.7988 | \n", "0.092456 | \n", "-452.744414 | \n", "-452.738132 | \n", "-452.737188 | \n", "-452.775716 | \n", "23.374 | \n", "
O3C6H4 | \n", "137.466887 | \n", "73.565364 | \n", "61.518383 | \n", "46.473325 | \n", "32.476771 | \n", "28.005426 | \n", "23.118138 | \n", "20.294645 | \n", "19.772588 | \n", "0.349248 | \n", "... | \n", "-0.2670 | \n", "-0.0823 | \n", "0.1848 | \n", "944.0426 | \n", "0.090391 | \n", "-456.613010 | \n", "-456.606412 | \n", "-456.605468 | \n", "-456.644392 | \n", "24.902 | \n", "
FON3C4H4 | \n", "146.431978 | \n", "83.548771 | \n", "59.494132 | \n", "50.055661 | \n", "43.923242 | \n", "31.137620 | \n", "23.795791 | \n", "22.151400 | \n", "19.093672 | \n", "0.331518 | \n", "... | \n", "-0.2192 | \n", "-0.0309 | \n", "0.1882 | \n", "1074.3078 | \n", "0.090835 | \n", "-494.100913 | \n", "-494.093709 | \n", "-494.092765 | \n", "-494.132471 | \n", "27.708 | \n", "
5 rows × 29 columns
\n", "