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
C23H29ClFN3O4	train	16
C23H29ClN4O2S	train	58
C23H29ClN4O3	train	16
C23H29ClO5	train	6
C23H29F4N3O5S	train	26
C23H29FN6O	train	18
C23H29N3O2	train	48
C23H29N3O2S	train	40
C23H29N3O2S2	train	16
C23H29N3O3	train	70
C23H29N3O3S	train	10
C23H29N3O3S2	train	13
C23H29N3O4	train	68
C23H29N3O4S	train	5
C23H29N3O4S2	train	13
C23H29N3O5S	train	14
C23H29N3O6	train	18
C23H29N5O	train	31
C23H29N5O2	train	7
C23H29N5O4	train	29
C23H29N5O4S	train	26
C23H29N5O8S2	train	36
C23H29N7O	train	13
C23H29N7O3	train	11
C23H29N7O6	train	13
C23H29NO2	train	8
C23H29NO3	train	5
C23H29NO5S2	train	5
C23H29NO6	train	8
C23H29NOS	train	26
C23H30ClN3O	train	27
C23H30FN3	train	13
C23H30N2O2	train	5
C23H30N2O3S	train	5
C23H30N2O4S	train	21
C23H30N2O5S	train	8
C23H30N2O6	train	8
C23H30N4O2	train	20
C23H30N4O3	train	10
C23H30N4O4S	train	9
C23H30N4O4S2	train	5
C23H30N4O5	train	39
C23H30N6O2	train	8
C23H30N6O3S	train	23
C23H30N6O5	train	16
C23H30N6OS	train	5
C23H30N8O3S	train	8
C23H30NO3+	train	16
C23H30O12	train	41
C23H30O13	train	25
C23H30O3	train	10
C23H30O4	train	20
C23H31Cl2N7O	train	5
C23H31ClO3	train	8
C23H31ClO4	train	6
C23H31FO6	train	33
C23H31N3O	train	8
C23H31N3O2	train	20
C23H31N3O3	train	20
C23H31N3O3S	train	5
C23H31N3O4S	train	57
C23H31N3O4S2	train	5
C23H31N3O5S2	train	27
C23H31N5O	train	47
C23H31N5O2	train	16
C23H31N5O3	train	58
C23H31N5O4	train	23
C23H31N5OS	train	8
C23H31N7O	train	8
C23H31NO2	train	8
C23H31NO3	train	8
C23H31NO4	train	16
C23H31NO5	train	15
C23H31NO6	train	11
C23H31NO7	train	16
C23H32Cl2NO6P	train	21
C23H32F3N5O4	train	21
C23H32FN3O2	train	8
C23H32FN3O3S	train	21
C23H32N2O3S	train	21
C23H32N2O4S	train	24
C23H32N2O5	train	37
C23H32N2O6S2	train	5
C23H32N4O	train	8
C23H32N4O2	train	26
C23H32N4O2S	train	18
C23H32N4O3S	train	37
C23H32N4O3S2	train	8
C23H32N4O4	train	5
C23H32N4O4S2	train	16
C23H32N4O6S	train	14
C23H32N6O	train	13
C23H32N6O4S	train	40
C23H32N6O5S	train	36
C23H32N8O7	train	10
C23H32O2	train	8
C23H32O3	train	8
C23H32O4	train	28
C23H32O5	train	24
C23H32O6	train	75

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