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
C26H28N2	train	13
C26H28N2O4	train	51
C26H28N2O5	train	9
C26H28N2O5S	train	5
C26H28N2O9	train	16
C26H28N4O	train	26
C26H28N4O2	train	5
C26H28N4O3	train	21
C26H28N4O3S	train	13
C26H28N4O5	train	32
C26H28N4O6	train	8
C26H28N6	train	23
C26H28N6O	train	17
C26H28N6O2S	train	10
C26H28N6O4S	train	18
C26H28N6O5S	train	26
C26H28N8O	train	5
C26H28N8O3	train	10
C26H28O10	train	16
C26H28O11	train	20
C26H28O15	train	81
C26H28O6	train	26
C26H28O9	train	7
C26H29Cl2N5O3	train	28
C26H29ClN2O4S	train	24
C26H29ClN4O3	train	8
C26H29F2N7	train	16
C26H29FN4O2	train	24
C26H29N3O3	train	39
C26H29N3O4	train	31
C26H29N3O5	train	10
C26H29N3O6	train	39
C26H29N5O	train	8
C26H29N5O2	train	8
C26H29N5O2S	train	19
C26H29N5O3	train	4
C26H29N5O3S	train	16
C26H29N5O4S	train	8
C26H29NO	train	32
C26H29NO2	train	15
C26H29NO3	train	8
C26H29NO3S	train	5
C26H29NO4S	train	8
C26H29NO5	train	5
C26H29NO5S	train	10
C26H29NO6	train	16
C26H29NO9	train	26
C26H30Cl2F3NO	train	16
C26H30Cl2N6O4	train	5
C26H30ClN3O2S	train	13
C26H30ClN7O2	train	12
C26H30ClNO8	train	16
C26H30F3N3O3	train	19
C26H30F3N7O2	train	23
C26H30FN3O	train	7
C26H30FN7O3	train	10
C26H30N2O2	train	8
C26H30N2O6	train	8
C26H30N4O2	train	36
C26H30N4O3S	train	11
C26H30N4O4	train	53
C26H30N4O4S	train	8
C26H30N6O2	train	8
C26H30N6O3	train	42
C26H30N8O2	train	5
C26H30NO4S2+	train	16
C26H30O12	train	16
C26H30O13	train	88
C26H30O14	train	60
C26H30O15	train	14
C26H30O6	train	71
C26H30O7	train	57
C26H30O8	train	53
C26H30O9	train	32
C26H31Cl2N7O3	train	10
C26H31ClN6O2	train	10
C26H31F3N4O4	train	15
C26H31FN2O3	train	16
C26H31FN4O2	train	6
C26H31FN6O2S	train	24
C26H31FN7O6P	train	16
C26H31N3O	train	8
C26H31N3O3	train	14
C26H31N3O4	train	47
C26H31N3O6	train	19
C26H31N5O	train	5
C26H31N5O3	train	4
C26H31N7O3	train	8
C26H31N7O4S	train	13
C26H32BrN5O6	train	16
C26H32F2O7	train	45
C26H32N2O	train	8
C26H32N2O2	train	8
C26H32N2O4	train	18
C26H32N2O5	train	39
C26H32N2O6	train	5
C26H32N2O7	train	10
C26H32N4O	train	5
C26H32N4O2	train	36
C26H32N4O3S	train	52

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