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
C19H16F4N4O	train	11
C19H16FN3O	train	10
C19H16FN3O2	train	44
C19H16FN5	train	19
C19H16FNO2	train	33
C19H16FNO4S2	train	5
C19H16N2	train	8
C19H16N2O2	train	92
C19H16N2O2S	train	56
C19H16N2O2S2	train	8
C19H16N2O3	train	101
C19H16N2O3S2	train	8
C19H16N2O5	train	90
C19H16N2O5S2	train	16
C19H16N2OS	train	48
C19H16N4	train	47
C19H16N4O	train	37
C19H16N4O2	train	83
C19H16N4O2S	train	10
C19H16N4O2S2	train	10
C19H16N4O3	train	73
C19H16N4O4	train	20
C19H16N6O	train	53
C19H16N6O2	train	13
C19H16N6O4S	train	10
C19H16N6OS	train	13
C19H16N8O	train	26
C19H16O3S	train	9
C19H16O5	train	8
C19H16O6	train	14
C19H16O7	train	8
C19H17BClN3O3	train	10
C19H17BrClN3O3	train	10
C19H17BrClN5O2S	train	16
C19H17BrN2O2	train	23
C19H17BrN2O3	train	15
C19H17BrN2O5	train	22
C19H17BrN4S	train	12
C19H17BrN6O2	train	10
C19H17BrO4	train	8
C19H17Cl2FN6O	train	11
C19H17Cl2N3O	train	11
C19H17Cl2N3O2S	train	47
C19H17Cl2N3O3	train	5
C19H17Cl2N3O3S	train	13
C19H17Cl2N3O5S	train	58
C19H17Cl2N5O3	train	10
C19H17Cl2N5O3S2	train	4
C19H17Cl3N4O3	train	13
C19H17ClF2N2O3	train	5
C19H17ClF3N5O	train	8
C19H17ClFN3O	train	8
C19H17ClFN3O3	train	5
C19H17ClFN3S	train	1
C19H17ClFN5S	train	26
C19H17ClN2O	train	25
C19H17ClN2O2	train	85
C19H17ClN2O2S	train	16
C19H17ClN2O3	train	36
C19H17ClN2O3S	train	26
C19H17ClN2O4	train	96
C19H17ClN2O4S2	train	13
C19H17ClN2O5	train	13
C19H17ClN4O2S	train	23
C19H17ClN4O4S	train	12
C19H17ClN4O5S	train	8
C19H17ClN4OS	train	5
C19H17ClN6O2	train	26
C19H17ClO5	train	8
C19H17F2N3O	train	8
C19H17F2N3O3	train	15
C19H17F2N3O5	train	36
C19H17F3N2O3	train	8
C19H17F3N2O4S	train	27
C19H17F3N4O2	train	18
C19H17F3N4O3S	train	26
C19H17F3N4O4	train	32
C19H17F3N4O4S	train	10
C19H17F3N4O5	train	27
C19H17F3N4OS	train	17
C19H17F3N8	train	13
C19H17F4N5O	train	18
C19H17F6N7O	train	65
C19H17FN2O	train	26
C19H17FN2O2	train	32
C19H17FN2O2S	train	8
C19H17FN2O3	train	14
C19H17FN2O3S	train	25
C19H17FN2O4	train	15
C19H17FN2O4S	train	34
C19H17FN2OS	train	13
C19H17FN2S	train	6
C19H17FN6O2S	train	27
C19H17FN8O2	train	13
C19H17N3O	train	78
C19H17N3O3	train	89
C19H17N3O3S	train	5
C19H17N3O4S	train	8
C19H17N3O5	train	10
C19H17N3O5S	train	23

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