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
C17H14Cl2N4O2	train	13
C17H14Cl2O7	train	5
C17H14Cl2O8	train	11
C17H14ClF2IN2O2	train	13
C17H14ClF2N3O	train	16
C17H14ClF2N3O3S	train	15
C17H14ClF3N4O2S	train	5
C17H14ClFN2O2S2	train	13
C17H14ClFN2O3	train	5
C17H14ClFN4O2	train	26
C17H14ClN3O2	train	90
C17H14ClN3O2S	train	10
C17H14ClN3O3	train	42
C17H14ClN3OS	train	78
C17H14ClN3S	train	8
C17H14ClN5	train	23
C17H14ClN5O	train	16
C17H14ClN5O2	train	23
C17H14ClN5O3	train	10
C17H14ClNO2S	train	10
C17H14ClNO3	train	26
C17H14ClNO4	train	10
C17H14F2N2	train	8
C17H14F2N2O2	train	18
C17H14F2N2O3	train	16
C17H14F2N2OS	train	21
C17H14F2N4O	train	51
C17H14F3N3	train	10
C17H14F3N3O	train	16
C17H14F3N3O2	train	88
C17H14F3N3O3	train	8
C17H14F3N3O3S	train	28
C17H14F3N5O	train	10
C17H14F3N5O2	train	36
C17H14F3N5O3S	train	13
C17H14F3NO3S2	train	13
C17H14FN3O2	train	56
C17H14FN3O3	train	62
C17H14FN5O	train	24
C17H14FNO2S	train	17
C17H14INO4	train	10
C17H14N2	train	8
C17H14N2O	train	13
C17H14N2O2	train	8
C17H14N2O3	train	57
C17H14N2O3S	train	143
C17H14N2O4	train	51
C17H14N2O5S	train	5
C17H14N2O6S	train	21
C17H14N4	train	29
C17H14N4O2	train	174
C17H14N4O2S	train	45
C17H14N4O4	train	10
C17H14N4OS	train	113
C17H14N4OS2	train	8
C17H14N4S2	train	26
C17H14N6	train	37
C17H14N6O	train	47
C17H14N6O2	train	50
C17H14N6O4	train	24
C17H14N6S	train	16
C17H14N8S	train	13
C17H14O2	train	13
C17H14O3	train	15
C17H14O3S	train	5
C17H14O4	train	43
C17H14O6	train	145
C17H14O7	train	99
C17H14O8	train	39
C17H15BrClFN4O3	train	47
C17H15BrClN5O	train	8
C17H15BrF2N4O3	train	33
C17H15BrF3N3O	train	5
C17H15BrN2O	train	15
C17H15BrN2O3S	train	23
C17H15BrN4O	train	13
C17H15BrN4O2	train	47
C17H15BrN6O3	train	5
C17H15Cl2FN2O3S	train	8
C17H15Cl2N3OS	train	5
C17H15Cl2N5O	train	5
C17H15ClF3N5O2S	train	10
C17H15ClF3N5OS	train	8
C17H15ClFN3O2	train	15
C17H15ClFN3O3	train	5
C17H15ClFN5O2	train	13
C17H15ClFNO2	train	5
C17H15ClN2O2	train	16
C17H15ClN2O2S	train	80
C17H15ClN2O3	train	64
C17H15ClN2O3S	train	8
C17H15ClN2O4	train	26
C17H15ClN2O4S	train	5
C17H15ClN2OS	train	13
C17H15ClN2S	train	13
C17H15ClN4O	train	127
C17H15ClN4O2	train	40
C17H15ClN6O	train	8
C17H15ClN6O2	train	8
C17H15ClO2	train	4

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