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
C16H15N7O	train	16
C16H15N7O2	train	12
C16H15N7OS2	train	13
C16H15N7S	train	21
C16H15N9	train	8
C16H15NO2	train	36
C16H15NO2S2	train	42
C16H15NO3	train	67
C16H15NO3S	train	77
C16H15NO4	train	31
C16H15NO4S	train	32
C16H15NO4S4	train	8
C16H15NO5	train	34
C16H15NO6S	train	8
C16H15NOS2	train	10
C16H16BrN3O	train	8
C16H16BrN3S	train	5
C16H16BrN5	train	5
C16H16BrNO	train	16
C16H16Cl2N2O4S	train	23
C16H16Cl4N2O4S4	train	12
C16H16ClF2N3O3	train	13
C16H16ClFN2O2S	train	5
C16H16ClFN2O4	train	5
C16H16ClFN6	train	8
C16H16ClN3O	train	84
C16H16ClN3O2	train	124
C16H16ClN3O2S	train	48
C16H16ClN3O3	train	45
C16H16ClN3O3S	train	64
C16H16ClN3OS	train	8
C16H16ClN5	train	31
C16H16ClN5O	train	27
C16H16ClN5O2	train	7
C16H16ClN5O3	train	13
C16H16ClN7	train	11
C16H16ClNO2S	train	42
C16H16ClNO3	train	20
C16H16ClNO4	train	27
C16H16ClNOS	train	57
C16H16F2N2O2	train	8
C16H16F2N2OS	train	17
C16H16F2N4O3S	train	5
C16H16F2N6	train	8
C16H16F2N6S	train	18
C16H16F3N3	train	21
C16H16F3N3O2	train	53
C16H16F3N3O3	train	21
C16H16F3N3O3S	train	36
C16H16F3N3O4S	train	29
C16H16F3N3O5S	train	10
C16H16F3N3OS	train	8
C16H16F3N5O2S	train	7
C16H16F3N7O	train	13
C16H16F3N7O2	train	13
C16H16F3N7OS2	train	13
C16H16F3NO2S	train	8
C16H16F3NO3	train	32
C16H16F3NO4	train	10
C16H16F3NO4S	train	5
C16H16F3NO5S	train	13
C16H16F4N2O2	train	13
C16H16FN3	train	8
C16H16FN3O2	train	137
C16H16FN3O2S	train	21
C16H16FN3O3	train	20
C16H16FN3O3S	train	52
C16H16FN3OS	train	60
C16H16FN3S	train	21
C16H16FN5O	train	61
C16H16FN5OS	train	10
C16H16FN7O	train	21
C16H16FNO2S	train	21
C16H16FNO3	train	16
C16H16FNO4	train	10
C16H16FNO4S	train	5
C16H16FNO5	train	13
C16H16INO3S	train	8
C16H16N10	train	13
C16H16N2O2S	train	163
C16H16N2O2S2	train	29
C16H16N2O3	train	70
C16H16N2O3S	train	281
C16H16N2O3S2	train	13
C16H16N2O4	train	169
C16H16N2O4S	train	51
C16H16N2O4S2	train	7
C16H16N2O5	train	62
C16H16N2O5S2	train	8
C16H16N2O6	train	10
C16H16N2OS2	train	55
C16H16N4	train	6
C16H16N4O	train	49
C16H16N4O2	train	74
C16H16N4O2S	train	216
C16H16N4O3	train	184
C16H16N4O3S	train	150
C16H16N4O4	train	39
C16H16N4O5	train	5
C16H16N4O8S	train	8

Subsets and Splits

No community queries yet

The top public SQL queries from the community will appear here once available.