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
C20H29N5	train	25
C20H29N5O	train	48
C20H29N5O3	train	150
C20H29N5O3S	train	23
C20H29N5O4S	train	24
C20H29N5OS	train	8
C20H29N7O	train	16
C20H29N7O2	train	8
C20H29N7OS	train	5
C20H29NO12	train	10
C20H29NO2	train	31
C20H29NO2S	train	8
C20H29NO3	train	16
C20H29NO4S	train	5
C20H29NO4S2	train	10
C20H29NO5	train	10
C20H29NO6S	train	13
C20H30ClN3O2S3	train	13
C20H30FN3O2	train	8
C20H30FN5O	train	8
C20H30N2O	train	61
C20H30N2O2	train	88
C20H30N2O2S2	train	8
C20H30N2O3	train	79
C20H30N2O5	train	42
C20H30N2OS	train	8
C20H30N4O2	train	109
C20H30N4O2S	train	5
C20H30N4O2S2	train	16
C20H30N4O3	train	8
C20H30N4O3S	train	15
C20H30N4S	train	5
C20H30N6O	train	33
C20H30N6O2	train	8
C20H30N8	train	5
C20H30NO3+	train	24
C20H30O10	train	10
C20H30O11	train	42
C20H30O12	train	27
C20H30O13	train	27
C20H30O3	train	33
C20H30O4	train	75
C20H30O8	train	8
C20H31BrN2O2	train	8
C20H31F3N2O2	train	17
C20H31N3O2	train	80
C20H31N3O2S	train	5
C20H31N3O2S2	train	13
C20H31N3O3	train	81
C20H31N3O4S	train	15
C20H31N3O4S2	train	15
C20H31N5O3S	train	24
C20H31NO	train	8
C20H31NO2	train	24
C20H31NO3	train	32
C20H31NO6	train	5
C20H32F2O5	train	26
C20H32N2O2	train	13
C20H32N2O3	train	5
C20H32N2O3S	train	5
C20H32N2O6	train	5
C20H32N4O2	train	38
C20H32N4O3S	train	17
C20H32N5O8P	train	16
C20H32N6O12S2	train	14
C20H32O3	train	68
C20H32O4	train	33
C20H32O5	train	21
C20H32O6	train	14
C20H32O9	train	5
C20H33N3O2S	train	8
C20H33N3O3	train	8
C20H33N3O3S	train	16
C20H33N3S	train	21
C20H33N5O	train	11
C20H33N5O3	train	16
C20H34N2O2	train	5
C20H34N2O4S	train	5
C20H34O4	train	57
C20H34O7	train	23
C20H35NO13	train	10
C20H35NO2	train	8
C20H36N2O3S	train	25
C20H36N2O4	train	8
C20H36N4O6	train	13
C20H36O3	train	5
C20H37N3O13	train	12
C20H37N3O4	train	23
C20H38N4O2	train	8
C20H38N6O4	train	13
C20H38O12	train	26
C20H39NO2	train	14
C20H39NO3	train	27
C20H8I4O5	train	14
C21H11F6N5	train	7
C21H12ClF5N2	train	8
C21H12F3NO6S	train	8
C21H12N2O4	train	6
C21H12O7	train	39
C21H13BrN4O2	train	5

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