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
C29H32N4O4S	train	13
C29H32N4O5S2	train	32
C29H32N6O4S	train	23
C29H32N6OS	train	5
C29H32O11	train	21
C29H32O15	train	26
C29H32O16	train	17
C29H32O7S	train	21
C29H33ClN2O2	train	14
C29H33FN2O4	train	41
C29H33FN8O	train	11
C29H33N3O3	train	13
C29H33NO4	train	17
C29H33NO5	train	5
C29H33O16P	train	19
C29H34Cl2FN3O3	train	29
C29H34Cl2N6O3S2	train	23
C29H34ClN3O	train	8
C29H34ClN7O	train	9
C29H34F3N3O6	train	49
C29H34N2O4	train	15
C29H34N6O	train	5
C29H34N6O2	train	5
C29H34O15	train	49
C29H34O16	train	26
C29H34O17	train	12
C29H34O18	train	23
C29H35F3N2O3	train	31
C29H35N3O3	train	20
C29H35N7O	train	21
C29H35NO2	train	19
C29H35NO7	train	8
C29H35NO9	train	18
C29H36ClN5O4	train	10
C29H36F3N3O5	train	21
C29H36N4O5	train	16
C29H36N6O4S	train	5
C29H36O10	train	20
C29H36O11	train	10
C29H36O15	train	165
C29H36O16	train	56
C29H36O5	train	13
C29H36O9	train	5
C29H37ClN6O5	train	3
C29H37N2O2+	train	6
C29H37N3O6	train	8
C29H37N5O3	train	34
C29H37N7O2S	train	13
C29H37NO13	train	17
C29H37NO3	train	5
C29H37NO5	train	17
C29H38Cl2N4O4	train	38
C29H38FN3O3	train	52
C29H38N2O6	train	29
C29H38O13	train	18
C29H38O14	train	15
C29H38O4	train	16
C29H38O6	train	5
C29H38O9	train	5
C29H39ClN7O2P	train	10
C29H39N5O7	train	13
C29H39NO9	train	13
C29H40N2O4	train	5
C29H40N2O5	train	13
C29H40N4O7	train	20
C29H40N8O3S	train	5
C29H40O12	train	11
C29H40O7	train	18
C29H40O9	train	5
C29H41F2N5O	train	37
C29H41N3O3	train	16
C29H42N2O3	train	8
C29H42N4O6	train	8
C29H42N6O3	train	8
C29H42O10	train	8
C29H42O4	train	19
C29H42O8	train	10
C29H42O9	train	45
C29H43N2O4+	train	32
C29H43N7O7	train	29
C29H43NO4S	train	5
C29H44F2N6O2	train	16
C29H44N8O3	train	29
C29H44O10	train	8
C29H44O12	train	45
C29H44O6	train	7
C29H44O8	train	28
C29H44O9	train	3
C29H46N2O3S	train	32
C29H46O17	train	16
C29H46O8	train	52
C29H47N5O7	train	13
C29H48ClN5O8	train	13
C29H48O22	train	11
C29H49N5O9	train	37
C29H50N4O5	train	10
C29H51O5P	train	4
C29H53NO5	train	21
C29H53NO9	train	21
C29H55N3O8	train	29

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