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
C19H21BrN6O2	train	8
C19H21Cl2N7O2	train	13
C19H21ClF2N4O2	train	20
C19H21ClF3N5O2	train	21
C19H21ClFN3O2	train	23
C19H21ClFN3O3S	train	8
C19H21ClN2O	train	27
C19H21ClN2O2S	train	10
C19H21ClN2O3S	train	21
C19H21ClN2O3S2	train	18
C19H21ClN2O4S	train	13
C19H21ClN2OS	train	8
C19H21ClN4	train	34
C19H21ClN4O2	train	46
C19H21ClN4O2S	train	16
C19H21ClN4O3	train	8
C19H21ClN4O3S3	train	8
C19H21ClN4O5	train	6
C19H21ClN6	train	8
C19H21ClN6O2	train	5
C19H21ClN6O3S	train	14
C19H21ClN6OS	train	8
C19H21F2N3O	train	8
C19H21F2N3O2	train	8
C19H21F2N3O2S	train	8
C19H21F2N7O2	train	5
C19H21F3N2O	train	8
C19H21F3N4O2S	train	21
C19H21F3N4O3	train	23
C19H21F3N4O3S	train	26
C19H21F4N5O3	train	23
C19H21FN2O	train	8
C19H21FN2O2	train	95
C19H21FN2O3	train	21
C19H21FN2O3S	train	36
C19H21FN2O4S	train	24
C19H21FN2O6S	train	16
C19H21FN4	train	21
C19H21FN4O	train	31
C19H21FN4O3	train	41
C19H21FN4O3S	train	29
C19H21FN6O2S	train	16
C19H21N2+	train	8
C19H21N3O	train	205
C19H21N3O2	train	418
C19H21N3O2S	train	62
C19H21N3O3	train	256
C19H21N3O3S	train	40
C19H21N3O3S2	train	5
C19H21N3O4S	train	15
C19H21N3O5	train	36
C19H21N3O5S	train	26
C19H21N3O5S2	train	17
C19H21N3OS	train	174
C19H21N3S	train	17
C19H21N5O	train	280
C19H21N5O2	train	190
C19H21N5O2S	train	21
C19H21N5O2S2	train	16
C19H21N5O3	train	79
C19H21N5O3S	train	13
C19H21N5O4	train	37
C19H21N5O4S	train	33
C19H21N5OS	train	26
C19H21N5S	train	8
C19H21N7	train	5
C19H21N7O3	train	23
C19H21N9O	train	21
C19H21NO	train	24
C19H21NO3S	train	28
C19H21NO4	train	146
C19H21NO4S	train	5
C19H21NO5	train	63
C19H21NO6	train	10
C19H21NOS	train	18
C19H21NS	train	16
C19H22BrClN4O2S	train	13
C19H22BrN3O2	train	5
C19H22BrN3O3	train	8
C19H22BrN3O4	train	5
C19H22BrN5O2	train	16
C19H22BrNO4	train	14
C19H22Cl2N2O3	train	9
C19H22Cl2N2O4	train	18
C19H22Cl2N4O2	train	28
C19H22ClFN4O	train	8
C19H22ClFN4O2S	train	15
C19H22ClFN4O2S2	train	18
C19H22ClN3O2	train	31
C19H22ClN3O2S	train	16
C19H22ClN3O3	train	19
C19H22ClN3O4S	train	8
C19H22ClN5O	train	37
C19H22ClN5O2	train	5
C19H22ClN5OS	train	8
C19H22ClN7O3	train	5
C19H22ClNO2	train	16
C19H22ClNO3	train	10
C19H22F2N2O3S	train	15
C19H22F2N4O3	train	29

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