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
C27H28F2N6O	train	5
C27H28F3N5O2S	train	5
C27H28F3N7O3	train	28
C27H28FN3O2	train	5
C27H28N2O3	train	8
C27H28N2O3S	train	10
C27H28N2O4	train	126
C27H28N2O5	train	13
C27H28N2O7	train	79
C27H28N4O3S2	train	24
C27H28N4O4	train	8
C27H28N6O2	train	10
C27H28N6O3S	train	19
C27H28N8O2	train	8
C27H28O13	train	20
C27H29ClN2O4S2	train	13
C27H29ClN6O2	train	12
C27H29F3O6S	train	27
C27H29FN4O4	train	24
C27H29FN8O3	train	5
C27H29N3O2	train	39
C27H29N3O3	train	36
C27H29N3O4	train	26
C27H29N3O6	train	34
C27H29N5	train	5
C27H29N5O2S	train	21
C27H29N5O3	train	30
C27H29N5O5	train	22
C27H29N5O6S	train	61
C27H29NO10	train	26
C27H29NO11	train	56
C27H29NO3	train	34
C27H29NO4	train	8
C27H29NO5	train	20
C27H30Cl2O6	train	28
C27H30ClFN4O3	train	5
C27H30ClN7O2	train	13
C27H30F2N2O3	train	13
C27H30F3N9O	train	8
C27H30FN5O3	train	13
C27H30FN5O5S	train	10
C27H30N2O10	train	21
C27H30N2O3	train	28
C27H30N2O6	train	26
C27H30N2O9	train	20
C27H30N4O	train	8
C27H30O10	train	13
C27H30O11	train	26
C27H30O12	train	31
C27H30O13	train	73
C27H30O15	train	431
C27H30O16	train	296
C27H30O17	train	87
C27H30O6	train	29
C27H30O7	train	8
C27H30O8	train	9
C27H31Br2ClN4O2	train	15
C27H31F5N4O	train	10
C27H31FN4O2	train	37
C27H31FN4O8	train	5
C27H31FN6O	train	5
C27H31N5O	train	9
C27H31N5O2S	train	5
C27H31N5O3	train	8
C27H31N7O2	train	26
C27H31NO3	train	7
C27H31NO3S2	train	8
C27H31NO4S	train	8
C27H31NO5	train	16
C27H31NO6	train	8
C27H31O15+	train	8
C27H32ClN5O5	train	5
C27H32ClNO8	train	16
C27H32F2N6O2	train	10
C27H32F2N8	train	38
C27H32F2N8O	train	9
C27H32F3N2O2+	train	6
C27H32FN3O2	train	9
C27H32FN5O2	train	5
C27H32FN9O2	train	65
C27H32N2O6S2	train	12
C27H32N4O2	train	18
C27H32N4O4	train	32
C27H32N4O4S	train	9
C27H32N4O5	train	9
C27H32N6	train	5
C27H32N6O2	train	5
C27H32O12	train	25
C27H32O13	train	39
C27H32O14	train	80
C27H32O15	train	117
C27H32O16	train	30
C27H32O6	train	13
C27H32O8	train	4
C27H33F2N7O2	train	10
C27H33N2O6S2+	train	5
C27H33N3O2	train	21
C27H33N3O3	train	23
C27H33N3O3S	train	10
C27H33N3O6S	train	37

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