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
C18H26N4O4	train	21
C18H26N4O4S	train	40
C18H26N4O5	train	8
C18H26N4S	train	5
C18H26N6	train	21
C18H26N6O2	train	37
C18H26N6O3	train	24
C18H26N6O4	train	10
C18H26N6OS	train	8
C18H26NO3+	train	16
C18H26O10	train	36
C18H26O11	train	10
C18H26O13	train	5
C18H26O4	train	14
C18H26O5	train	20
C18H27F3N2O2	train	8
C18H27FN2O3S	train	8
C18H27FN4O3	train	29
C18H27N3O2	train	243
C18H27N3O2S3	train	8
C18H27N3O3	train	153
C18H27N3O3S	train	13
C18H27N3O3S2	train	17
C18H27N3O4	train	45
C18H27N3O5	train	10
C18H27N3O6	train	5
C18H27N3O6S	train	29
C18H27N3OS	train	15
C18H27N5O	train	49
C18H27N5O2	train	22
C18H27N5O4	train	15
C18H27N5S	train	8
C18H27N7O	train	8
C18H27N7O3	train	21
C18H27NO2	train	53
C18H27NO3	train	66
C18H27NO3S	train	5
C18H27NO4	train	43
C18H27NO5	train	48
C18H27NOS2	train	8
C18H28N2O	train	45
C18H28N2O2	train	70
C18H28N2O3	train	62
C18H28N2O3S	train	34
C18H28N2O4	train	42
C18H28N2O4S2	train	8
C18H28N4	train	15
C18H28N4O	train	45
C18H28N4O3	train	71
C18H28N4O5S	train	16
C18H28N6O	train	96
C18H28N6O2	train	26
C18H28N6O2S	train	29
C18H28N8O	train	8
C18H28O3	train	47
C18H28O9	train	10
C18H29N3O2	train	116
C18H29N3O2S	train	8
C18H29N3O3	train	21
C18H29N3O3S	train	28
C18H29N3O5	train	16
C18H29N3O5S	train	5
C18H29N5O	train	41
C18H29N5O2	train	35
C18H29N5O3S	train	8
C18H29NO2	train	50
C18H29NO3	train	77
C18H30N2O2S	train	18
C18H30N2O3	train	24
C18H30N2O3S	train	8
C18H30N2O4	train	15
C18H30N2O4S	train	35
C18H30N4O	train	52
C18H30N4O2	train	24
C18H30N4O3	train	37
C18H30N4O3S	train	38
C18H30N4O4	train	13
C18H30N4O4S	train	10
C18H30N6O3	train	8
C18H30O4	train	4
C18H30O6	train	20
C18H30O8	train	13
C18H31N3O2	train	16
C18H31N3O3	train	8
C18H31N5O	train	16
C18H31N5O2	train	25
C18H31N5O6	train	8
C18H31NO4	train	16
C18H32N2O2S	train	8
C18H32N2O3	train	26
C18H32N2O5	train	8
C18H32N4O3S	train	16
C18H32N4O6	train	10
C18H32O11	train	5
C18H32O16	train	140
C18H32O3	train	2
C18H33ClN2O5S	train	13
C18H33N3O3	train	18
C18H34ClN2O8PS	train	25
C18H34N2O6S	train	39

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