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
C19H22F3N3O3S	train	13
C19H22F3N3O4	train	8
C19H22F3N5O	train	8
C19H22F3N5O2S	train	18
C19H22F3N5O3	train	25
C19H22F5N5O	train	11
C19H22FN3O	train	24
C19H22FN3O2	train	57
C19H22FN3O3	train	24
C19H22FN3O3S	train	21
C19H22FN3O3S2	train	46
C19H22FN3O4	train	31
C19H22FN3O5	train	13
C19H22FN3O5S	train	8
C19H22FN5O	train	22
C19H22FN5O2	train	38
C19H22FN7O	train	16
C19H22FNO2	train	20
C19H22FNO2S	train	21
C19H22FNO3	train	36
C19H22FNOS	train	10
C19H22N2	train	16
C19H22N2O	train	66
C19H22N2O2	train	260
C19H22N2O3	train	159
C19H22N2O3S	train	2
C19H22N2O3S2	train	35
C19H22N2O3S3	train	5
C19H22N2O4	train	103
C19H22N2O5	train	20
C19H22N2O5S	train	53
C19H22N2O5S2	train	34
C19H22N2O8	train	8
C19H22N2O9	train	20
C19H22N2OS	train	87
C19H22N2S	train	13
C19H22N4O	train	218
C19H22N4O2	train	350
C19H22N4O2S	train	82
C19H22N4O3	train	61
C19H22N4O3S	train	60
C19H22N4O3S2	train	8
C19H22N4O4	train	143
C19H22N4O4S	train	38
C19H22N4O4S2	train	5
C19H22N4O5	train	10
C19H22N4O5S	train	33
C19H22N4O6S	train	16
C19H22N4OS	train	21
C19H22N6O	train	74
C19H22N6O2S	train	8
C19H22N6O3	train	47
C19H22N6O3S	train	10
C19H22N6O4S	train	15
C19H22N6OS	train	22
C19H22N8O	train	41
C19H22N8O6S2	train	10
C19H22NO4S2+	train	13
C19H22O10	train	28
C19H22O2	train	5
C19H22O3S	train	8
C19H22O5	train	56
C19H22O6	train	85
C19H22O7	train	18
C19H22O7S	train	10
C19H22O8	train	30
C19H23BrFN3O3	train	19
C19H23BrN2O4	train	5
C19H23BrN4O2	train	18
C19H23BrN4O3	train	9
C19H23Cl2N3O2	train	18
C19H23ClF3NO3	train	15
C19H23ClFN3O2S	train	16
C19H23ClN2	train	21
C19H23ClN2O	train	16
C19H23ClN2O2	train	31
C19H23ClN2O3S	train	5
C19H23ClN2O4S	train	8
C19H23ClN2O4S2	train	13
C19H23ClN4O2	train	8
C19H23ClN4O2S2	train	17
C19H23ClN4O3	train	29
C19H23ClN4O3S	train	40
C19H23ClN6O	train	8
C19H23ClN6O2	train	21
C19H23ClO4	train	5
C19H23F3N2O5S	train	5
C19H23F3N4O	train	22
C19H23F3N4O3	train	21
C19H23F3O2	train	15
C19H23FN2O	train	26
C19H23FN2O3S	train	21
C19H23FN2O3S2	train	19
C19H23FN2O4	train	8
C19H23FN2O4S	train	8
C19H23FN4O	train	29
C19H23FN4O2	train	16
C19H23FN4O3	train	5
C19H23FN4O4S	train	5
C19H23FN4O5S	train	16

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