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
C24H27NO9	train	21
C24H28ClFN2O2S	train	8
C24H28ClN3O	train	7
C24H28ClN3O2	train	7
C24H28ClN5O3	train	21
C24H28ClNO6	train	16
C24H28F3N3O3	train	18
C24H28F4N6	train	5
C24H28FN3O	train	31
C24H28FN5O2	train	13
C24H28N2O3	train	174
C24H28N2O4	train	8
C24H28N2O4S	train	10
C24H28N2O5	train	42
C24H28N4O	train	8
C24H28N4O2	train	60
C24H28N4O2S	train	39
C24H28N4O3S	train	10
C24H28N4O3S2	train	10
C24H28N4O4	train	49
C24H28N4O4S	train	18
C24H28N4O6	train	10
C24H28N6O2S	train	10
C24H28N6O3	train	5
C24H28N6O3S	train	28
C24H28O10	train	12
C24H28O11	train	75
C24H28O12	train	39
C24H28O4	train	11
C24H28O5	train	8
C24H28O8	train	5
C24H29Cl2N3O	train	8
C24H29ClN2O2	train	23
C24H29ClN2O3	train	8
C24H29ClN6O3	train	5
C24H29ClN6OS	train	5
C24H29FN2O4	train	8
C24H29FN2O5	train	15
C24H29FN4O	train	8
C24H29FN4O3	train	14
C24H29FN6	train	20
C24H29FN6O	train	24
C24H29N3O3	train	8
C24H29N3O3S	train	13
C24H29N3O4S	train	18
C24H29N3O5	train	31
C24H29N3O6S	train	21
C24H29N5O	train	63
C24H29N5O2	train	10
C24H29N5O3	train	161
C24H29N5O3S2	train	8
C24H29N5O4	train	21
C24H29N5O4S	train	42
C24H29N5O5S	train	14
C24H29N5OS	train	10
C24H29N7O	train	8
C24H29N7O5	train	8
C24H29NO	train	21
C24H29NO2	train	26
C24H29NO3	train	32
C24H29NO5	train	88
C24H30Cl2FN3O3	train	22
C24H30ClN7O2S	train	5
C24H30ClN7O4S	train	59
C24H30ClN7OS	train	18
C24H30F2O6	train	24
C24H30F3N3O2	train	8
C24H30FN7O	train	10
C24H30N2O2	train	16
C24H30N2O2S	train	13
C24H30N2O3	train	20
C24H30N2O4S2	train	18
C24H30N2O5	train	18
C24H30N2O5S	train	18
C24H30N2O6S	train	13
C24H30N4O2	train	49
C24H30N4O2S	train	23
C24H30N4O3	train	42
C24H30N4O4	train	29
C24H30N4O4S	train	15
C24H30N4O5S	train	5
C24H30N6O	train	6
C24H30N6O2	train	34
C24H30N6O2S	train	12
C24H30O10	train	15
C24H30O11	train	73
C24H30O12	train	70
C24H30O13	train	41
C24H30O14	train	71
C24H30O4	train	23
C24H30O5	train	52
C24H30O6	train	31
C24H30O7	train	39
C24H30O8	train	23
C24H31ClF2N6O2	train	13
C24H31ClO7	train	25
C24H31F3N2O4S	train	5
C24H31F3N4S	train	8
C24H31FO6	train	81
C24H31N3O2	train	8

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