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
C17H12N2O2	train	10
C17H12N2O2S	train	34
C17H12N2O3S	train	47
C17H12N2O4	train	5
C17H12N2O5	train	13
C17H12N2O6S2	train	4
C17H12N2OS2	train	11
C17H12N4	train	6
C17H12N4O	train	19
C17H12N4O2	train	8
C17H12N4O2S	train	8
C17H12N4O3	train	8
C17H12N4OS	train	43
C17H12O4S	train	10
C17H12O5S	train	10
C17H12O6	train	24
C17H13BrN2O4S	train	5
C17H13BrN4O	train	23
C17H13BrN4O2S	train	5
C17H13BrN4O4	train	10
C17H13BrN6O	train	5
C17H13Cl2FN4O	train	8
C17H13Cl2N3O	train	13
C17H13Cl2NO4	train	10
C17H13ClF2N4O	train	33
C17H13ClFN3O	train	8
C17H13ClFN3O2	train	37
C17H13ClFNO3	train	5
C17H13ClFNO3S	train	10
C17H13ClFNO4	train	5
C17H13ClN2O2	train	72
C17H13ClN2O2S	train	30
C17H13ClN2O3	train	10
C17H13ClN2O3S	train	5
C17H13ClN2O4	train	13
C17H13ClN2OS	train	48
C17H13ClN4	train	30
C17H13ClN4O	train	8
C17H13ClN4O2	train	5
C17H13ClN4S	train	24
C17H13ClN6	train	8
C17H13ClNO5P	train	12
C17H13ClO3	train	5
C17H13ClO4	train	14
C17H13F2N3O	train	43
C17H13F2N3O2	train	25
C17H13F2N3O3	train	18
C17H13F2N3O3S	train	10
C17H13F2NO3	train	18
C17H13F3N2O	train	6
C17H13F3N2O2	train	39
C17H13F3N2O2S2	train	26
C17H13F3N2O5S2	train	16
C17H13F3N4O	train	18
C17H13F3N4O2	train	39
C17H13F3N4O3	train	13
C17H13F3N4OS	train	32
C17H13F3O4	train	13
C17H13F6N3O	train	8
C17H13FN4O2	train	11
C17H13FN4O3S	train	10
C17H13FN4S	train	8
C17H13FN6	train	13
C17H13N3O	train	8
C17H13N3O2	train	44
C17H13N3O2S	train	32
C17H13N3O3S	train	27
C17H13N3O4	train	15
C17H13N3O5S2	train	18
C17H13N3OS	train	13
C17H13N3OS2	train	5
C17H13N5	train	18
C17H13N5O2	train	59
C17H13N5O2S2	train	10
C17H13N5O4S2	train	5
C17H13N5OS	train	26
C17H13N5OS3	train	13
C17H13N5S	train	16
C17H13N7	train	9
C17H13NO2	train	18
C17H13NO3	train	12
C17H13NO4	train	21
C17H13NO4S	train	44
C17H13NO5	train	5
C17H14BrF2N3O3S	train	13
C17H14BrF2N5O3S	train	31
C17H14BrFN2O3S	train	8
C17H14BrFN4O3	train	5
C17H14BrN3	train	6
C17H14BrN3O2S	train	49
C17H14BrN3OS	train	5
C17H14BrN3OS2	train	5
C17H14BrN3S	train	10
C17H14BrNO	train	10
C17H14BrNO2	train	5
C17H14Cl2F2N2O3	train	29
C17H14Cl2F2N4OS	train	16
C17H14Cl2FN3OS	train	3
C17H14Cl2N2O	train	5
C17H14Cl2N2O2	train	18

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