Subset (17)

split_A_formula_split · 21.1k rows

Split (1)

train · 21.1k rows

formula stringlengths 5 17	fold stringclasses 3 values	n_spectra int64 1 627
C15H19Cl2N3O2	train	38
C15H19Cl2N3O3	train	15
C15H19Cl2N3O4	train	31
C15H19Cl2NO3	train	5
C15H19ClN2O	train	8
C15H19ClN2O2S	train	5
C15H19ClN2O3	train	35
C15H19ClN2O3S	train	28
C15H19ClN2O4S	train	10
C15H19ClN2O5	train	20
C15H19ClN2O5S	train	8
C15H19ClN4O	train	44
C15H19ClN4O2	train	39
C15H19ClN4S	train	8
C15H19ClN6	train	8
C15H19ClN6O2S	train	13
C15H19F2N3O	train	8
C15H19F2N5O	train	8
C15H19F2NO2	train	13
C15H19F2NO3S	train	16
C15H19F2NO4	train	16
C15H19F2NO4S	train	10
C15H19F3N2O2	train	40
C15H19F3N2O2S	train	29
C15H19F3N2O3S	train	26
C15H19F3N4O	train	21
C15H19F3N4O2	train	24
C15H19F3N4OS	train	8
C15H19F4N3O2	train	26
C15H19FN2O2S2	train	23
C15H19FN2O3	train	32
C15H19FN2O3S	train	21
C15H19FN2O4S	train	18
C15H19FN4	train	8
C15H19FN4O2	train	16
C15H19FN4O2S	train	16
C15H19FN4OS	train	8
C15H19FN6	train	5
C15H19FN6O	train	33
C15H19FN6O2	train	7
C15H19N3O2	train	170
C15H19N3O2S	train	360
C15H19N3O3	train	111
C15H19N3O4	train	152
C15H19N3O4S	train	98
C15H19N3O5	train	13
C15H19N3O6S	train	23
C15H19N3OS	train	21
C15H19N3OS2	train	29
C15H19N5	train	57
C15H19N5O	train	67
C15H19N5O2	train	301
C15H19N5O3	train	100
C15H19N5O3S	train	147
C15H19N5O4	train	5
C15H19N5O4S	train	10
C15H19N5OS	train	113
C15H19N5OS2	train	45
C15H19N5S	train	18
C15H19N7O	train	44
C15H19N7O2	train	13
C15H19N7O3S	train	18
C15H19NO2	train	21
C15H19NO2S	train	5
C15H19NO2S2	train	5
C15H19NO3	train	202
C15H19NO4	train	165
C15H19NO4S	train	32
C15H19NO5	train	69
C15H19NO5S	train	28
C15H19NO9	train	15
C15H20BrN3O	train	13
C15H20BrNO	train	19
C15H20BrNO2	train	34
C15H20BrNO3	train	13
C15H20Cl2N2O	train	10
C15H20Cl2N2O3	train	8
C15H20ClFN2O2	train	26
C15H20ClFN4O	train	12
C15H20ClN3O2	train	21
C15H20ClN3O3	train	21
C15H20ClN3O3S	train	16
C15H20ClN3O4	train	39
C15H20ClN3OS	train	6
C15H20ClN5	train	16
C15H20ClN5O	train	21
C15H20ClNO3	train	11
C15H20ClNO3S2	train	13
C15H20ClNO4S	train	36
C15H20F2N2O2S	train	22
C15H20F2N2O3	train	10
C15H20F2N6O	train	15
C15H20F3N3O	train	97
C15H20F3N3O2	train	27
C15H20F3N3OS	train	8
C15H20F3NOS	train	16
C15H20FN3O2	train	8
C15H20FN3O3	train	16
C15H20FN3OS	train	8
C15H20FN5O2	train	8

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