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
C14H13N3O3S3	train	5
C14H13N3O4	train	18
C14H13N3O4S	train	16
C14H13N3O5	train	15
C14H13N3O5S	train	21
C14H13N3OS	train	5
C14H13N3OS2	train	38
C14H13N3S3	train	8
C14H13N5	train	8
C14H13N5O	train	8
C14H13N5O2	train	5
C14H13N5O2S	train	63
C14H13N5O3S	train	5
C14H13N5O5S2	train	26
C14H13N7S	train	38
C14H13NO2	train	5
C14H13NO2S	train	15
C14H13NO3S	train	16
C14H13NO4	train	68
C14H13NO4S2	train	9
C14H13NO5S2	train	5
C14H13NO7	train	15
C14H14BrF2N3	train	8
C14H14BrF2N3O2S	train	11
C14H14BrFN2O2	train	5
C14H14BrN3	train	24
C14H14BrN3O	train	15
C14H14BrN3O2	train	37
C14H14BrN3O2S	train	10
C14H14BrN3O3S	train	10
C14H14BrN3O4	train	5
C14H14BrN5O	train	25
C14H14BrNO2	train	21
C14H14BrNO2S	train	10
C14H14BrNO3	train	39
C14H14BrNO4S	train	5
C14H14BrNOS	train	5
C14H14Cl2N2O	train	8
C14H14Cl2N2O2	train	8
C14H14Cl2N2OS	train	10
C14H14Cl2N4	train	20
C14H14Cl2N4O	train	37
C14H14Cl2N4O2	train	41
C14H14Cl2O5	train	8
C14H14ClF3N4	train	8
C14H14ClF5N4O2S	train	14
C14H14ClFN4O	train	24
C14H14ClFN4O2	train	24
C14H14ClFN4OS	train	8
C14H14ClN3O3	train	18
C14H14ClN3O3S	train	20
C14H14ClN3O4	train	23
C14H14ClN3OS	train	8
C14H14ClN3OS2	train	15
C14H14ClN5O2	train	21
C14H14ClN5OS	train	16
C14H14ClN7	train	8
C14H14ClNO2S	train	10
C14H14ClNO2S2	train	28
C14H14ClNO3	train	26
C14H14ClNO3S	train	13
C14H14ClNOS2	train	8
C14H14ClNS	train	32
C14H14F2N2O2	train	5
C14H14F2N2O4	train	17
C14H14F2N2O4S	train	41
C14H14F2N4O2	train	11
C14H14F2N4O3	train	5
C14H14F2N6O	train	53
C14H14F2N6OS	train	5
C14H14F3N3O	train	8
C14H14F3N3O2	train	106
C14H14F3N3O2S	train	69
C14H14F3N3O3	train	8
C14H14F3N3O3S	train	8
C14H14F3N3O4	train	5
C14H14F3N3OS	train	45
C14H14F3N5	train	51
C14H14F3N5O	train	21
C14H14F3N7	train	13
C14H14F3NO2	train	21
C14H14F3NO2S2	train	19
C14H14F3NO4S	train	13
C14H14F4N2O2	train	25
C14H14F4N4O2	train	16
C14H14F4N6	train	5
C14H14FN3O2S	train	25
C14H14FN3O3	train	13
C14H14FN3O3S	train	26
C14H14FN3O4S	train	5
C14H14FN3OS2	train	8
C14H14FN5	train	14
C14H14FN5O	train	5
C14H14FNO2S	train	8
C14H14FNO2S2	train	41
C14H14FNO3	train	5
C14H14FNO4	train	13
C14H14IN3O	train	8
C14H14N2	train	16
C14H14N2O	train	21

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