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
C20H18FNO2	train	18
C20H18FNO3S	train	25
C20H18FNO4	train	18
C20H18FNO5	train	5
C20H18N2O	train	45
C20H18N2O2S	train	6
C20H18N2O3	train	143
C20H18N2O3S	train	39
C20H18N2O4	train	41
C20H18N2O5	train	37
C20H18N2O6S2	train	8
C20H18N2OS	train	8
C20H18N2S	train	14
C20H18N4	train	27
C20H18N4O2	train	130
C20H18N4O2S	train	13
C20H18N4O2S2	train	32
C20H18N4O3	train	8
C20H18N4O3S	train	13
C20H18N4O3S2	train	28
C20H18N4O4	train	38
C20H18N4O5	train	13
C20H18N4O5S	train	16
C20H18N4S	train	28
C20H18N6O	train	37
C20H18N6O2	train	61
C20H18N6O3	train	69
C20H18NO4+	train	51
C20H18O11	train	58
C20H18O3	train	21
C20H18O4	train	46
C20H18O5	train	87
C20H18O8	train	59
C20H19BrN2O3	train	30
C20H19BrN2O4	train	25
C20H19BrN2O4S2	train	10
C20H19BrN4O3	train	21
C20H19BrN6O2	train	15
C20H19ClF2N2O3	train	15
C20H19ClF2N2O4	train	9
C20H19ClFN5OS	train	5
C20H19ClFNO4	train	20
C20H19ClFNO5	train	8
C20H19ClN2O	train	48
C20H19ClN2O3	train	35
C20H19ClN2O3S	train	10
C20H19ClN4	train	5
C20H19ClN4O3	train	16
C20H19ClN4O3S	train	55
C20H19ClN6O2	train	10
C20H19ClN6O2S	train	16
C20H19ClN6O3	train	24
C20H19ClN8O	train	5
C20H19F2N3O2	train	10
C20H19F2N3O2S2	train	8
C20H19F2N3O3	train	31
C20H19F2N3O3S	train	8
C20H19F2N3O5	train	98
C20H19F2N5O2	train	16
C20H19F2N5O3	train	20
C20H19F2N5OS	train	13
C20H19F3IN3O5	train	16
C20H19F3N2O3	train	29
C20H19F3N2O4	train	13
C20H19F3N2O4S	train	8
C20H19F3N4O2	train	8
C20H19F3N4O3S2	train	18
C20H19F3N4OS	train	16
C20H19F3N6O	train	11
C20H19F3N8O	train	13
C20H19F4N3O2	train	32
C20H19F5N2O	train	13
C20H19F6N3O	train	27
C20H19FN2O	train	16
C20H19FN2O2	train	8
C20H19FN2O5	train	16
C20H19FN4O	train	15
C20H19FN4O2	train	13
C20H19FN4O3	train	23
C20H19FN4O4	train	20
C20H19FN4OS	train	37
C20H19FN8O2	train	16
C20H19IN2O2	train	8
C20H19N3	train	18
C20H19N3O2	train	195
C20H19N3O2S	train	46
C20H19N3O3	train	176
C20H19N3O3S	train	34
C20H19N3O4S	train	21
C20H19N3O4S2	train	23
C20H19N3O5	train	13
C20H19N3O5S	train	13
C20H19N3OS	train	28
C20H19N3OS2	train	8
C20H19N3S	train	8
C20H19N4O3+	train	8
C20H19N5	train	30
C20H19N5O	train	58
C20H19N5O2	train	5
C20H19N5O3	train	50

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