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
C10H12N4O2	train	88
C10H12N4O2S	train	10
C10H12N4O3	train	10
C10H12N4O4S2	train	23
C10H12N4O5	train	72
C10H12N4O6	train	13
C10H12N4OS	train	5
C10H12N5O6P	train	16
C10H12N5O7P	train	16
C10H12N6O	train	10
C10H12N6OS	train	5
C10H12O	train	13
C10H12O2	train	8
C10H12O4	train	38
C10H12O5	train	31
C10H13BClNO4	train	10
C10H13BrClN3O2S	train	5
C10H13BrN2O2S	train	10
C10H13BrN4OS	train	8
C10H13ClN2O3S	train	13
C10H13ClN4O2	train	8
C10H13F2N3OS	train	9
C10H13F3N4O	train	13
C10H13F3N4O2S	train	13
C10H13FN2O4	train	10
C10H13FN5O7P	train	29
C10H13N3O2	train	77
C10H13N3O2S2	train	5
C10H13N3O3	train	64
C10H13N3O3S	train	15
C10H13N3O4	train	5
C10H13N3O5S	train	11
C10H13N4O8P	train	13
C10H13N5	train	15
C10H13N5O2	train	13
C10H13N5O3	train	55
C10H13N5O3S	train	10
C10H13N5O4	train	139
C10H13N5O5	train	18
C10H13N5OS	train	5
C10H13NO	train	8
C10H13NO2	train	143
C10H13NO2S	train	22
C10H13NO3	train	102
C10H13NO3S	train	29
C10H13NO4	train	82
C10H13NO4S	train	8
C10H13NO4S2	train	116
C10H13NO5S	train	18
C10H13NO6S	train	8
C10H13NO6S2	train	8
C10H14BrN3O	train	5
C10H14BrN3O2S	train	46
C10H14BrN3OS	train	5
C10H14ClN3	train	5
C10H14ClN3O3S	train	13
C10H14F3N3O3S	train	18
C10H14FN3O4	train	15
C10H14IN3O2	train	20
C10H14N2	train	29
C10H14N2O	train	29
C10H14N2O2S	train	61
C10H14N2O3	train	66
C10H14N2O4S	train	21
C10H14N2O4S2	train	41
C10H14N2O5	train	5
C10H14N2O5S	train	9
C10H14N2O6	train	49
C10H14N4O2S	train	5
C10H14N4O3	train	10
C10H14N4O3S	train	13
C10H14N4O4	train	15
C10H14N5O4P	train	26
C10H14N5O6P	train	16
C10H14N5O7P	train	80
C10H14N5O8P	train	13
C10H14O3	train	5
C10H14O5	train	8
C10H15BrN2O2S	train	10
C10H15BrN4O2	train	5
C10H15BrN4O2S	train	10
C10H15ClN2O2S	train	5
C10H15F2NO4	train	16
C10H15F3N2O3S	train	18
C10H15N2O8P	train	13
C10H15N3	train	10
C10H15N3O2	train	28
C10H15N3O2S	train	24
C10H15N3O2S2	train	8
C10H15N3O4	train	23
C10H15N3O5	train	48
C10H15N3S2	train	16
C10H15N5	train	27
C10H15N5O10P2	train	5
C10H15N5O11P2	train	5
C10H15N5O3	train	38
C10H15NO2S	train	16
C10H16ClN3O3S	train	5
C10H16F3NO4	train	13
C10H16N2	train	10

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