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
C15H25ClN4O2	train	16
C15H25N3O2	train	71
C15H25N3O2S	train	24
C15H25N3O3	train	8
C15H25N3O3S	train	64
C15H25N3O4S	train	32
C15H25N3O5S	train	10
C15H25N5O2	train	45
C15H25N5O3	train	5
C15H25N5O4S	train	16
C15H25NO3	train	24
C15H25NO3S	train	20
C15H25NO3S2	train	9
C15H25NO4	train	58
C15H25NO5	train	6
C15H26ClN5O	train	13
C15H26F2N2O2	train	16
C15H26N2	train	22
C15H26N2O2S2	train	8
C15H26N2O3	train	22
C15H26N2O3S	train	8
C15H26N2O4	train	36
C15H26N2O4S	train	83
C15H26N2O5	train	12
C15H26N4O	train	8
C15H26N4O2	train	18
C15H26N4O3	train	5
C15H26N4O3S	train	42
C15H26N4O4	train	16
C15H26N6O2	train	8
C15H26N6O3	train	5
C15H26O13	train	13
C15H26O4	train	31
C15H26O5	train	10
C15H27N3O	train	8
C15H27N3O2	train	18
C15H27N3O3	train	12
C15H27N3O4S	train	20
C15H27N5O5	train	16
C15H27N7O	train	8
C15H27N7O7S	train	8
C15H27N7O8	train	13
C15H27NO3S	train	12
C15H27NO6	train	17
C15H28N2O2	train	39
C15H28N2O4	train	17
C15H28N2O4S	train	18
C15H28N4O3	train	5
C15H28N4O4	train	49
C15H28N6O	train	16
C15H28O4	train	5
C15H28O8	train	10
C15H29N3O2	train	16
C15H29N3O3S	train	8
C15H29N3O5	train	13
C15H30N2O2S	train	8
C15H30N2O4	train	8
C15H30N4O3	train	27
C15H7ClF2N4OS	train	5
C15H8Br2ClNO2	train	8
C15H8Br2INO2	train	8
C15H8BrF6NO2	train	5
C15H8Cl2FN3O	train	8
C15H8Cl2O3	train	5
C15H8ClF6NO2	train	6
C15H8F4N4O	train	10
C15H8F6N2O2	train	8
C15H8F7NO3	train	16
C15H8N2O2	train	5
C15H8O4	train	5
C15H8O5	train	11
C15H8O6	train	16
C15H8O7	train	18
C15H9BrClN3OS	train	8
C15H9BrN2O2	train	10
C15H9BrN2O6S2	train	5
C15H9BrN2S	train	6
C15H9BrO3	train	4
C15H9Cl2N5OS	train	5
C15H9ClFN5	train	13
C15H9ClN2O2S2	train	6
C15H9ClN2O3	train	5
C15H9ClN6O	train	19
C15H9ClO6	train	6
C15H9F2N5O3	train	16
C15H9F3N2O2	train	12
C15H9F3N4	train	18
C15H9F4N5OS	train	16
C15H9F4NO3	train	13
C15H9F6N5OS	train	8
C15H9N5O2S	train	5
C16H10BrN3O2	train	13
C16H10BrNO3	train	13
C16H10Cl2FN3O3S2	train	13
C16H10Cl2N2O	train	16
C16H10Cl2N2O2	train	5
C16H10Cl2N2O3S	train	5
C16H10Cl2O3	train	5
C16H10ClF3N2O	train	62
C16H10ClF3N2O3	train	10

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