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
C10H16N2O	train	10
C10H16N2O3	train	46
C10H16N2O3S2	train	31
C10H16N2O4	train	23
C10H16N2O4S3	train	41
C10H16N2O5S	train	18
C10H16N2O8	train	19
C10H16N4	train	8
C10H16N4O2	train	15
C10H16N4O2S	train	8
C10H16N4O3	train	13
C10H16N4O4S	train	18
C10H16N4O5S	train	10
C10H16N6O2	train	9
C10H16N6S	train	36
C10H16NO+	train	13
C10H16O4	train	20
C10H16O8	train	8
C10H17F3N2O2	train	5
C10H17N	train	17
C10H17N3O2S	train	5
C10H17N3O2S2	train	12
C10H17N3O3S	train	34
C10H17N3O5S	train	16
C10H17N3S	train	54
C10H17N5O	train	5
C10H17NO3	train	132
C10H17NO4	train	13
C10H17NO9S2	train	5
C10H17NOS	train	20
C10H18F2N2	train	8
C10H18N2O3	train	20
C10H18N2O5S	train	5
C10H18N4	train	8
C10H18N4O2S	train	25
C10H18N4O2S2	train	13
C10H18N6O4S	train	20
C10H18N8S2	train	5
C10H18O4	train	38
C10H18O9	train	5
C10H19N3O	train	8
C10H19N5O2	train	10
C10H19N5S	train	8
C10H19NO	train	6
C10H19NO2	train	34
C10H20N2O	train	8
C10H20N2O2	train	8
C10H20N2O3	train	10
C10H20N2O4S2	train	8
C10H20N2S	train	16
C10H20N2S4	train	5
C10H20NO4+	train	18
C10H20O3	train	19
C10H21NO4	train	16
C10H22N4	train	10
C10H22N4O4S2	train	8
C10H24N2O2S2	train	5
C10H26N4	train	5
C10H4N6O	train	8
C10H5ClF3N3O2	train	5
C10H5ClFNO3	train	5
C10H5F2NO2S	train	13
C10H5F2NO3	train	43
C10H5F3N4O	train	8
C10H5F4N3O2	train	15
C10H5FO4	train	8
C10H6BrF3N4S	train	8
C10H6Cl3N3	train	5
C10H6ClFN2O2	train	13
C10H6ClNO2	train	44
C10H6ClNO3	train	65
C10H6F2N2O2	train	27
C10H6F2N2O3	train	8
C10H6F2O3	train	5
C10H6F2O4	train	8
C10H6F3N3O2	train	51
C10H6F3NO2	train	5
C10H6F3NO3	train	13
C10H6FNO3	train	21
C10H6N2O2S	train	13
C10H6N2O5	train	10
C10H6O3	train	5
C10H6O4	train	23
C10H6O4S2	train	5
C10H7Br2NO2	train	6
C10H7BrClNO2	train	5
C10H7BrN2	train	3
C10H7BrN2O2	train	5
C10H7BrN2O3S	train	5
C10H7Cl2N3O	train	15
C10H7Cl2NO	train	11
C10H7ClF3N5O	train	8
C10H7ClFN3O2	train	16
C10H7ClN2O2	train	119
C10H7ClN2O3S	train	5
C10H7F2N3O2	train	26
C10H7F3N2O2	train	22
C10H7F3N2O2S2	train	13
C10H7F3N4OS2	train	8
C10H7FN2O2	train	178

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