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
C7H7NO2S	train	48
C7H7NO3	train	280
C7H7NO3S	train	8
C7H7NO4	train	20
C7H7O6P	train	5
C7H8ClNO2	train	4
C7H8ClNO4S2	train	8
C7H8F2N2O2	train	44
C7H8F3N3O2	train	5
C7H8FN3O4	train	5
C7H8IN5O	train	5
C7H8INO2S	train	10
C7H8N2	train	5
C7H8N2O	train	18
C7H8N2O2	train	119
C7H8N2O3	train	65
C7H8N4O2	train	51
C7H8N4O3	train	10
C7H8N6	train	10
C7H8NO2+	train	18
C7H8O3	train	18
C7H8O3S	train	35
C7H8O5S	train	18
C7H9ClN2O2	train	105
C7H9F3O3	train	8
C7H9FN3O2P	train	5
C7H9N2O+	train	51
C7H9N3O2	train	170
C7H9N3O3S	train	5
C7H9N5	train	12
C7H9N7OS3	train	13
C7H9NO	train	5
C7H9NO2	train	21
C7H9NO2S	train	103
C7H9NO3	train	55
C7H9NO3S	train	29
C7H9NO4	train	15
C7H9NO6S	train	5
C7H9O3PS	train	51
C80H113ClN18O13	train	3
C82H134O43	train	3
C8H10ClIN2O	train	36
C8H10ClN3O	train	7
C8H10ClN5O3S	train	5
C8H10F2O3	train	5
C8H10F3NO3	train	13
C8H10FN3O3S	train	10
C8H10FNO2S	train	5
C8H10IN5	train	8
C8H10N2O	train	5
C8H10N2O2	train	258
C8H10N2O2S	train	34
C8H10N2O3S	train	28
C8H10N2O4S	train	21
C8H10N2S	train	16
C8H10N4O2	train	10
C8H10N6S	train	13
C8H10NO6P	train	5
C8H10O2	train	5
C8H11ClN2O2	train	36
C8H11F3N4O2S2	train	13
C8H11N	train	15
C8H11N3O2	train	84
C8H11N3O3	train	32
C8H11N3O3S	train	10
C8H11N5	train	5
C8H11NO	train	25
C8H11NO2	train	20
C8H11NO2S	train	19
C8H11NO3	train	237
C8H11NO5S	train	13
C8H12N2	train	52
C8H12N2O3	train	35
C8H12N2O4S	train	10
C8H12N2O6	train	10
C8H12N4O5	train	40
C8H12N5O4P	train	20
C8H12O5	train	3
C8H13N3O2	train	5
C8H13N3O4S	train	13
C8H13N5O5	train	18
C8H13NO	train	8
C8H13NO2	train	61
C8H13NO4	train	59
C8H13NO5S	train	8
C8H14N2O2	train	8
C8H14N2O3	train	10
C8H14N2O5	train	10
C8H14N3O6P	train	26
C8H14N4O	train	5
C8H14N4O2	train	16
C8H14N4S	train	5
C8H14O3	train	30
C8H14O4	train	25
C8H14O6	train	10
C8H15N3O4	train	5
C8H15N5OS2	train	13
C8H15N5S	train	7
C8H15N7O2S3	train	25
C8H15NO4	train	13

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