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
C15H16N4O4S3	train	9
C15H16N4O6	train	10
C15H16N4OS3	train	8
C15H16N6	train	8
C15H16N6O	train	68
C15H16N6O2S	train	16
C15H16N6O3	train	13
C15H16N6OS	train	131
C15H16N6OS2	train	26
C15H16O3	train	35
C15H16O4	train	69
C15H16O5S	train	16
C15H16O8	train	10
C15H17BrClN5OS	train	10
C15H17BrN2O	train	50
C15H17BrN2O2	train	13
C15H17BrN2O2S	train	18
C15H17BrN2O3S	train	10
C15H17BrN2OS	train	5
C15H17BrN2S	train	6
C15H17BrN4OS	train	15
C15H17BrN4OS2	train	10
C15H17Cl2N3	train	8
C15H17Cl2N3O	train	26
C15H17Cl2N3O3	train	5
C15H17Cl2N5O	train	17
C15H17Cl2NO2	train	5
C15H17Cl2NO3	train	16
C15H17Cl2NO4	train	4
C15H17Cl2NOS	train	5
C15H17ClF3NO3	train	5
C15H17ClFN3O2	train	10
C15H17ClFNO4S	train	15
C15H17ClIN3O3	train	17
C15H17ClN2O2S	train	104
C15H17ClN2O4	train	13
C15H17ClN2OS	train	47
C15H17ClN4	train	26
C15H17ClN4O	train	80
C15H17ClN4O2	train	74
C15H17ClN4OS	train	24
C15H17ClN4S	train	5
C15H17ClN6	train	6
C15H17ClN8	train	5
C15H17F2N3O2S	train	39
C15H17F2N3O3	train	31
C15H17F2N5O	train	29
C15H17F2N5O2	train	18
C15H17F3N2O4S	train	8
C15H17F3N4O	train	33
C15H17F3N6O2	train	23
C15H17F4NO3	train	13
C15H17F6N3S	train	42
C15H17FN2O2	train	23
C15H17FN2O2S	train	5
C15H17FN2O3	train	16
C15H17FN2O4	train	46
C15H17FN2O4S	train	8
C15H17FN4O	train	37
C15H17FN4O2	train	91
C15H17FN4O2S	train	36
C15H17FN4S	train	7
C15H17FN6	train	16
C15H17FN6O3	train	5
C15H17FN6OS2	train	18
C15H17FN8	train	5
C15H17IN2O2S	train	8
C15H17IN2O4S	train	10
C15H17N3	train	8
C15H17N3O2	train	288
C15H17N3O2S	train	181
C15H17N3O2S2	train	29
C15H17N3O3	train	140
C15H17N3O3S	train	247
C15H17N3O4	train	121
C15H17N3O4S2	train	13
C15H17N3O5	train	52
C15H17N3OS	train	41
C15H17N3OS2	train	70
C15H17N3S2	train	8
C15H17N5	train	37
C15H17N5O	train	37
C15H17N5O2	train	123
C15H17N5O3	train	54
C15H17N5O3S	train	13
C15H17N5O4	train	18
C15H17N5O5	train	45
C15H17N5OS	train	96
C15H17N5OS2	train	8
C15H17N7O2	train	26
C15H17N7S	train	19
C15H17NO2	train	52
C15H17NO2S	train	8
C15H17NO2S2	train	13
C15H17NO3	train	79
C15H17NO3S2	train	30
C15H17NO4	train	27
C15H17NO4S	train	15
C15H17NO5	train	49
C15H17NO6	train	9

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