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
C20H23N3O3S	train	51
C20H23N3O3S2	train	21
C20H23N3O3S3	train	5
C20H23N3O4	train	85
C20H23N3O4S	train	64
C20H23N3O5S	train	8
C20H23N3O7S	train	18
C20H23N3OS	train	8
C20H23N5	train	70
C20H23N5O	train	251
C20H23N5O2	train	189
C20H23N5O2S	train	83
C20H23N5O3	train	32
C20H23N5O3S	train	79
C20H23N5O3S2	train	10
C20H23N5O4	train	26
C20H23N5O4S	train	29
C20H23N5O6S	train	26
C20H23N5S	train	7
C20H23N7	train	13
C20H23N7O	train	13
C20H23N7O7	train	47
C20H23NO2	train	86
C20H23NO2S	train	20
C20H23NO3	train	185
C20H23NO3S	train	8
C20H23NO3S2	train	8
C20H23NO4	train	205
C20H23NO5	train	21
C20H23NO6S	train	13
C20H23NO8	train	10
C20H23NOS	train	29
C20H24BrF2N5O3S	train	8
C20H24BrN5O	train	6
C20H24Cl2N2	train	5
C20H24Cl2N2O8	train	10
C20H24Cl2N4O2S	train	8
C20H24ClFN6O	train	6
C20H24ClN3O2	train	42
C20H24ClN3O2S	train	5
C20H24ClN3O3	train	12
C20H24ClN3O3S	train	57
C20H24ClN3O4S	train	48
C20H24ClN5	train	16
C20H24ClN5O2	train	9
C20H24ClN5O3S	train	8
C20H24ClNO	train	16
C20H24F2N2O3	train	15
C20H24F2N2O5S	train	11
C20H24F2N4O	train	22
C20H24F2N4O2	train	22
C20H24F2N4O2S	train	16
C20H24F3N3O2	train	5
C20H24F3N5O	train	8
C20H24F4N2O4	train	46
C20H24FN3O	train	55
C20H24FN3O2	train	21
C20H24FN3O2S	train	29
C20H24FN3O3	train	20
C20H24FN3O4S	train	26
C20H24FN5O	train	21
C20H24FN5O2S	train	13
C20H24FN5O3	train	20
C20H24FNO	train	8
C20H24FNO3	train	5
C20H24FNOS	train	8
C20H24N+	train	11
C20H24N10O13P2	train	14
C20H24N2O	train	26
C20H24N2O2	train	317
C20H24N2O3S	train	33
C20H24N2O4S	train	113
C20H24N2O4S2	train	13
C20H24N2O5	train	52
C20H24N2O5S	train	107
C20H24N2O6	train	47
C20H24N2OS	train	82
C20H24N2S2	train	24
C20H24N4O2	train	209
C20H24N4O2S	train	28
C20H24N4O2S2	train	10
C20H24N4O2S3	train	8
C20H24N4O3	train	98
C20H24N4O3S	train	20
C20H24N4O4	train	34
C20H24N4O4S3	train	39
C20H24N4O5S	train	13
C20H24N4S	train	13
C20H24N6	train	74
C20H24N6O	train	49
C20H24N6O2	train	75
C20H24N6O2S	train	31
C20H24N6O2S2	train	16
C20H24N6O3	train	16
C20H24N6OS	train	17
C20H24N6S	train	5
C20H24N8O2	train	5
C20H24NO2+	train	8
C20H24NO4+	train	24
C20H24O10	train	98

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