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
C22H15F3N4O2	train	55
C22H15FN4O2S	train	14
C22H15FN4OS	train	13
C22H15FN6S	train	8
C22H15N3O3	train	6
C22H15N3O4	train	13
C22H15NO2	train	24
C22H15NO4S2	train	10
C22H16ClN3O2	train	8
C22H16ClN3O2S	train	13
C22H16F2N2O3S2	train	5
C22H16F2N4O2	train	10
C22H16F4N4OS	train	15
C22H16F4N6O2	train	26
C22H16FN5O	train	8
C22H16FN5O2	train	28
C22H16N2O	train	6
C22H16N2O2	train	29
C22H16N2O3	train	8
C22H16N2O3S	train	17
C22H16N2O5S	train	10
C22H16N4	train	6
C22H16N4O	train	5
C22H16N4O3	train	32
C22H16N4O4S2	train	5
C22H16N6O5	train	5
C22H17BrN4O2	train	8
C22H17Cl2N3O2S	train	23
C22H17Cl2N3O3S	train	10
C22H17ClFNO4	train	10
C22H17ClN2	train	5
C22H17ClN4O2	train	5
C22H17ClN4O3	train	18
C22H17ClN4O4	train	16
C22H17F2N3O3	train	5
C22H17F2N3O3S	train	24
C22H17F2N5OS	train	56
C22H17F3N4O3S	train	28
C22H17FN2O3	train	20
C22H17FN4O2	train	34
C22H17FN4O2S	train	5
C22H17N3O	train	63
C22H17N3O2S	train	10
C22H17N3O5	train	33
C22H17N3O5S	train	5
C22H17N3OS	train	8
C22H18BrN3O3S	train	10
C22H18BrNO4	train	5
C22H18Cl2FN3O3S	train	13
C22H18Cl2N2O3	train	5
C22H18ClF2N3O4	train	15
C22H18ClN3O2	train	8
C22H18ClN3O3S	train	76
C22H18ClN3O4	train	5
C22H18ClN3O5	train	20
C22H18ClN5O	train	31
C22H18ClN5O2	train	10
C22H18ClN5OS	train	13
C22H18ClNO3	train	18
C22H18F2N4O3	train	13
C22H18F2N4O3S	train	10
C22H18F3NO5	train	10
C22H18F5N3O4	train	13
C22H18F6N2O3	train	15
C22H18FN3O	train	16
C22H18FN3O3	train	26
C22H18FN3O3S	train	52
C22H18FN3O4S	train	21
C22H18FN5O2S	train	14
C22H18FN5O3S	train	13
C22H18FN7	train	20
C22H18FN7O	train	46
C22H18N2	train	20
C22H18N2O	train	12
C22H18N2O2	train	8
C22H18N2O3S2	train	16
C22H18N2O4	train	13
C22H18N2O4S	train	5
C22H18N2O4S2	train	8
C22H18N2O4S3	train	5
C22H18N2O5	train	13
C22H18N4O	train	30
C22H18N4O2	train	26
C22H18N4O2S	train	10
C22H18N4O2S2	train	10
C22H18N4O2S3	train	1
C22H18N4O4	train	13
C22H18N4O4S2	train	8
C22H18N4O5	train	8
C22H18N4OS	train	30
C22H18N6	train	24
C22H18N6O3	train	18
C22H18N6OS	train	15
C22H18N6S	train	8
C22H18O10	train	62
C22H18O11	train	32
C22H18O12	train	23
C22H18O6	train	16
C22H18O8	train	16
C22H19Br2FN2O	train	15

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