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
C22H23NO	train	34
C22H23NO2	train	33
C22H23NO4	train	5
C22H23NO5	train	18
C22H23NO6	train	8
C22H23NO6S2	train	17
C22H23NO7	train	13
C22H24BrFN4O2	train	31
C22H24BrN3O3S	train	10
C22H24Cl2N2O4	train	5
C22H24ClF4N7O2	train	16
C22H24ClFN6O	train	8
C22H24ClN3O	train	13
C22H24ClN3O2	train	32
C22H24ClN3O2S	train	8
C22H24ClN3OS	train	8
C22H24ClN5O2	train	17
C22H24ClN5O3	train	8
C22H24ClN5OS	train	8
C22H24ClNO6S	train	5
C22H24F2N6O2	train	15
C22H24F3N3O2	train	38
C22H24F3N5O2	train	23
C22H24FN3O2	train	8
C22H24FN3O2S	train	8
C22H24FN3O4S	train	26
C22H24FN3O5S2	train	16
C22H24FN7O2	train	15
C22H24FN7OS	train	25
C22H24N2	train	15
C22H24N2O	train	29
C22H24N2O10	train	19
C22H24N2O2	train	135
C22H24N2O2S	train	5
C22H24N2O3	train	106
C22H24N2O3S	train	19
C22H24N2O4	train	34
C22H24N2O4S2	train	11
C22H24N2O7S	train	75
C22H24N2O8	train	97
C22H24N2O9	train	79
C22H24N4	train	16
C22H24N4O2	train	83
C22H24N4O2S	train	41
C22H24N4O2S2	train	13
C22H24N4O3	train	96
C22H24N4O3S	train	34
C22H24N4O3S3	train	25
C22H24N4O4S	train	60
C22H24N4O4S2	train	5
C22H24N4O5	train	63
C22H24N6O	train	20
C22H24N6O2	train	24
C22H24N6O2S	train	81
C22H24N6O3	train	45
C22H24N6O4	train	18
C22H24N6S	train	8
C22H24N8O	train	8
C22H24N8O2	train	21
C22H24N8OS	train	26
C22H24NO4+	train	16
C22H24O10	train	26
C22H24O11	train	21
C22H24O4	train	8
C22H24O4S	train	26
C22H24O6	train	10
C22H24O7	train	70
C22H24O8	train	61
C22H24O9	train	55
C22H25BrN2O3S	train	13
C22H25ClFN3O3	train	21
C22H25ClFN7O2	train	16
C22H25ClN2OS	train	16
C22H25ClN6O	train	6
C22H25ClN6O2	train	16
C22H25ClO4	train	5
C22H25F3N2O3	train	13
C22H25F3N4O	train	16
C22H25FN2O2S	train	25
C22H25FN2O3	train	15
C22H25FN2O4	train	20
C22H25FN2O5	train	34
C22H25FN2O6	train	5
C22H25FN4O2	train	60
C22H25FN4O3S	train	16
C22H25FN4O4	train	8
C22H25FN6O2	train	5
C22H25FN6O3	train	14
C22H25FN6O4S	train	10
C22H25N3O	train	42
C22H25N3O2	train	52
C22H25N3O2S	train	34
C22H25N3O2S2	train	13
C22H25N3O3	train	144
C22H25N3O3S	train	40
C22H25N3O3S2	train	5
C22H25N3O4	train	163
C22H25N3O4S	train	20
C22H25N3O5	train	13
C22H25N3O5S	train	13

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