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
C18H13BrN6O	train	8
C18H13BrO5	train	5
C18H13Cl2FN2O2	train	8
C18H13Cl2N5OS	train	7
C18H13Cl2N7O	train	13
C18H13Cl2NO5S	train	3
C18H13Cl4N3O	train	13
C18H13ClF2N6O	train	10
C18H13ClF3N7S	train	19
C18H13ClF4N2O3	train	13
C18H13ClFN3	train	6
C18H13ClFN7O	train	14
C18H13ClN2O	train	18
C18H13ClN2O2	train	43
C18H13ClN2O2S	train	8
C18H13ClN2O3	train	24
C18H13ClN4	train	8
C18H13ClN4O2	train	10
C18H13ClN4O2S	train	12
C18H13ClN4O3S	train	10
C18H13F2N3O3S	train	13
C18H13F2NO3	train	5
C18H13F2NO4	train	5
C18H13F3N2O	train	24
C18H13F3N2O2	train	38
C18H13F3N4O2	train	41
C18H13F3N4O2S	train	13
C18H13F3O4	train	5
C18H13F6N3O2S	train	6
C18H13F6NO4S	train	18
C18H13FN4O	train	26
C18H13FN4O4	train	13
C18H13FN4O5	train	16
C18H13FN6O	train	19
C18H13FN6O2	train	5
C18H13FN6OS	train	5
C18H13N	train	7
C18H13N3O	train	22
C18H13N3O2	train	51
C18H13N3O2S	train	5
C18H13N3O3	train	35
C18H13N3O3S2	train	23
C18H13N3OS	train	61
C18H13N3OS2	train	16
C18H13N5O2	train	8
C18H13N5O2S	train	13
C18H13N5O3	train	10
C18H13N5OS	train	32
C18H13N7	train	5
C18H13N7O2S	train	13
C18H13NO	train	8
C18H13NO3	train	12
C18H13NO3S	train	33
C18H13NO4	train	14
C18H14BNO2	train	18
C18H14BrCl2N5O2	train	17
C18H14BrClN2O3S2	train	15
C18H14BrN3O	train	19
C18H14BrN3O2S	train	13
C18H14BrN3O3S	train	5
C18H14BrN5O3S2	train	8
C18H14BrN7O2	train	5
C18H14BrNO	train	18
C18H14Cl2F2N4O2	train	5
C18H14Cl2N2O3	train	15
C18H14Cl4N2O	train	34
C18H14ClF2N3O	train	8
C18H14ClFN2O2	train	28
C18H14ClFN4O	train	5
C18H14ClFN4O3	train	21
C18H14ClFN6O2S	train	13
C18H14ClN3	train	19
C18H14ClN3O	train	51
C18H14ClN3O2	train	10
C18H14ClN3O3	train	13
C18H14ClN3O3S	train	5
C18H14ClN3O3S2	train	15
C18H14ClNO2	train	18
C18H14ClNO3	train	18
C18H14ClNO3S	train	16
C18H14ClNO4	train	8
C18H14ClNOS	train	12
C18H14F2N2O	train	8
C18H14F2N2O3	train	26
C18H14F2N2O3S	train	18
C18H14F2N2OS	train	14
C18H14F2N4O2S2	train	10
C18H14F3N3O	train	12
C18H14F3N3O2	train	13
C18H14F3N3O4S	train	15
C18H14F3N3O6S	train	8
C18H14F3NO	train	8
C18H14F3NO4S	train	32
C18H14F4N2O4S	train	35
C18H14FN3O2	train	26
C18H14FN3O3	train	5
C18H14FN3S	train	8
C18H14FN5O	train	13
C18H14FN5OS	train	21
C18H14FN5S	train	6

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