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
C14H11BrF4N4O3	train	13
C14H11BrN2O2	train	23
C14H11BrN2O2S	train	13
C14H11BrN2O2S2	train	5
C14H11BrN2O3S2	train	8
C14H11BrN4	train	10
C14H11BrN4O	train	24
C14H11BrN4O2	train	12
C14H11BrN4S	train	5
C14H11BrN4S2	train	4
C14H11BrN6OS	train	10
C14H11Cl2F2N3	train	5
C14H11Cl2N3O	train	18
C14H11Cl2N3O2	train	13
C14H11Cl2N3O3	train	15
C14H11Cl2N5	train	35
C14H11Cl2N5OS	train	10
C14H11Cl2NO2	train	67
C14H11Cl2NO4	train	23
C14H11ClFN3O3S	train	13
C14H11ClFN5	train	6
C14H11ClN2O2S	train	16
C14H11ClN2O3S	train	8
C14H11ClN2O4S	train	30
C14H11ClN2OS2	train	24
C14H11ClN4O2	train	18
C14H11ClN4O2S	train	13
C14H11ClN4O3	train	15
C14H11ClN6O	train	12
C14H11ClN6O3	train	13
C14H11F2N3	train	8
C14H11F2N3O2S	train	21
C14H11F3N2O2S	train	8
C14H11F3N2OS	train	10
C14H11F3N4O	train	6
C14H11F3N4OS	train	23
C14H11F3N4S	train	31
C14H11F3N8	train	23
C14H11F4IN4O	train	15
C14H11FN2O2S2	train	9
C14H11FN2O3S	train	16
C14H11FN4OS	train	17
C14H11FO2	train	5
C14H11IN2	train	5
C14H11IN2O2S2	train	16
C14H11IN2O3	train	8
C14H11IN4OS	train	9
C14H11N3O	train	13
C14H11N3O2	train	73
C14H11N3O3	train	10
C14H11N3O3S	train	92
C14H11N3O4	train	13
C14H11N3O4S	train	10
C14H11N3O6	train	10
C14H11N5OS2	train	10
C14H11NO3	train	46
C14H11NO3S2	train	8
C14H11NO4	train	38
C14H11NO5	train	21
C14H11NO5S2	train	10
C14H11NOS	train	13
C14H12BrFN4O3S	train	5
C14H12BrN3	train	13
C14H12BrN3O	train	34
C14H12BrN3O2	train	5
C14H12BrN5O	train	21
C14H12BrNO2	train	10
C14H12BrNO3S	train	15
C14H12Cl2F3N3O	train	13
C14H12Cl2N2O2	train	5
C14H12Cl2N2O2S	train	8
C14H12Cl2N2O3	train	31
C14H12Cl2N2OS	train	8
C14H12Cl2N2S	train	18
C14H12Cl2N4O	train	28
C14H12ClF2N3O	train	8
C14H12ClF2N3O2	train	5
C14H12ClF2N3O4S	train	12
C14H12ClF2N3OS	train	8
C14H12ClFN6	train	5
C14H12ClIN2OS	train	18
C14H12ClN3O2	train	9
C14H12ClN3O2S	train	116
C14H12ClN3O2S2	train	8
C14H12ClN3O3	train	33
C14H12ClN3O3S	train	5
C14H12ClN3O4S2	train	5
C14H12ClN3OS	train	31
C14H12ClN3OS2	train	17
C14H12ClN3OS3	train	10
C14H12ClN3S2	train	8
C14H12ClN5O2	train	5
C14H12ClN5O2S	train	39
C14H12ClN5O3S	train	10
C14H12ClNO2	train	10
C14H12ClNO4	train	10
C14H12ClNO4S	train	5
C14H12ClNO5	train	18
C14H12F2N2O3S	train	8
C14H12F3N3O2	train	77

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