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
C19H18N4S	train	20
C19H18N6	train	85
C19H18N6O	train	90
C19H18N6O2	train	22
C19H18N6O2S	train	13
C19H18N6O5S3	train	16
C19H18N8O	train	15
C19H18N9O5S2+	train	13
C19H18NO4+	train	8
C19H18O10	train	23
C19H18O11	train	43
C19H18O4	train	87
C19H18O5	train	10
C19H18O6	train	70
C19H18O7	train	52
C19H18O8	train	65
C19H18O9	train	23
C19H19BrN4	train	18
C19H19BrN4O2	train	18
C19H19Cl2FN2O3S	train	18
C19H19Cl2N3O2S	train	10
C19H19Cl2N9O3	train	17
C19H19ClFN3O2	train	31
C19H19ClFN3O5S	train	5
C19H19ClFN5O	train	21
C19H19ClFN5O3	train	8
C19H19ClN2	train	16
C19H19ClN2O	train	13
C19H19ClN2O2	train	89
C19H19ClN2O3	train	23
C19H19ClN2O4	train	38
C19H19ClN4	train	24
C19H19ClN4O2	train	17
C19H19ClN4O2S	train	8
C19H19ClN4O3S	train	30
C19H19ClN4OS	train	25
C19H19ClN6O	train	19
C19H19ClN6O2	train	64
C19H19ClN6O4S	train	10
C19H19F2N3O2	train	40
C19H19F2N3O2S	train	14
C19H19F2N3O3S2	train	20
C19H19F3N4O3	train	29
C19H19F3N6O2	train	8
C19H19F3N6O2S	train	26
C19H19F3N6O3	train	38
C19H19F4N3O	train	8
C19H19F4NO3	train	6
C19H19FN2O	train	8
C19H19FN2O2S2	train	13
C19H19FN2O3	train	80
C19H19FN2O5S	train	5
C19H19FN2OS	train	5
C19H19FN4O	train	21
C19H19FN4O2	train	37
C19H19FN4O3	train	38
C19H19FN4O5S	train	29
C19H19IN2O4	train	18
C19H19N	train	26
C19H19N2O6+	train	8
C19H19N3	train	13
C19H19N3O2	train	416
C19H19N3O2S	train	51
C19H19N3O2S2	train	8
C19H19N3O3S	train	92
C19H19N3O3S2	train	17
C19H19N3O4S	train	141
C19H19N3O5S	train	34
C19H19N3O6	train	29
C19H19N3O6S	train	18
C19H19N3OS	train	139
C19H19N3OS2	train	13
C19H19N3S	train	6
C19H19N5	train	26
C19H19N5O	train	140
C19H19N5O2	train	184
C19H19N5O2S	train	8
C19H19N5O2S2	train	5
C19H19N5O3	train	18
C19H19N5O3S	train	27
C19H19N5O4	train	13
C19H19N5S	train	55
C19H19N7	train	42
C19H19N7O2	train	16
C19H19N7O2S3	train	13
C19H19N7O6	train	26
C19H19NO	train	5
C19H19NO2S	train	38
C19H19NO3	train	118
C19H19NO3S	train	98
C19H19NO3S2	train	23
C19H19NO4	train	175
C19H19NO5	train	98
C19H19NO6	train	15
C19H19NO6S	train	18
C19H19NOS	train	24
C19H19NS	train	16
C19H20Br2N2O3	train	6
C19H20BrF3N4O	train	15
C19H20BrN2O4P	train	20

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