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
C9H13N3O2	train	72
C9H13N3O3	train	52
C9H13N3O3S2	train	13
C9H13N3O4	train	38
C9H13N3O6	train	10
C9H13N5O2S	train	10
C9H13N5O4	train	36
C9H13N5O6	train	10
C9H13NO	train	5
C9H13NO2	train	113
C9H13NO2S	train	63
C9H13NO3	train	154
C9H13NO3S	train	26
C9H13NO4S2	train	30
C9H14BrN3O2S2	train	10
C9H14IN3O	train	8
C9H14N2O12P2	train	5
C9H14N2O2	train	168
C9H14N2O2S2	train	5
C9H14N2O3	train	5
C9H14N2O6	train	9
C9H14N3O7P	train	18
C9H14N4	train	8
C9H14N4O2	train	8
C9H14N4O4	train	10
C9H14N4O5	train	16
C9H14N5O4P	train	80
C9H14O4S	train	8
C9H14O5	train	8
C9H15BrN2O3S2	train	8
C9H15N3O11P2	train	13
C9H15N3O4S	train	33
C9H15N3O5S	train	10
C9H15N3S	train	21
C9H15N4O4+	train	9
C9H15N5O	train	16
C9H15N5O3	train	8
C9H15NO2	train	60
C9H15NO3	train	248
C9H15NO4	train	52
C9H16Br2N5O4P	train	5
C9H16ClN5	train	8
C9H16N2O2	train	5
C9H16N2O4S	train	13
C9H16N3O2S+	train	10
C9H16N4O	train	8
C9H16N4S2	train	5
C9H16O3	train	16
C9H16O4	train	16
C9H16O4S	train	5
C9H17N3O	train	5
C9H17NO	train	5
C9H17NO2	train	146
C9H17NO4	train	5
C9H17NO5	train	43
C9H18Cl3N2O2P	train	5
C9H18N2O2	train	23
C9H18N2O3	train	19
C9H18N2O4S	train	23
C9H18N6	train	15
C9H18NO4+	train	5
C9H18O5S	train	5
C9H18O6	train	4
C9H18O7	train	8
C9H19NO4	train	89
C9H20N2O5S	train	16
C9H4BrF3N2O2	train	20
C9H4ClFN2O2	train	10
C9H4F2O3	train	5
C9H4F3N3O4S	train	8
C9H4F3NO3	train	5
C9H4F3NO4	train	8
C9H4N4O4	train	5
C9H5Br2NO	train	18
C9H5Cl2NO	train	11
C9H5ClF3N3O2	train	8
C9H5ClFN3O2	train	5
C9H5ClFNO2	train	8
C9H5ClINO	train	13
C9H5ClN2O2S	train	10
C9H5ClN4	train	8
C9H5ClO3	train	11
C9H5F2NO2	train	24
C9H5F2NO2S	train	5
C9H5F3N2O2	train	82
C9H5F3N4O2	train	8
C9H5FN2O2	train	23
C9H5FN2O2S	train	10
C9H5FO3	train	18
C9H5I2NO	train	13
C9H5N3O2	train	5
C9H6Cl2N2O2S2	train	10
C9H6ClNO	train	5
C9H6ClNO4	train	8
C9H6F2N2O2	train	16
C9H6F2O4	train	13
C9H6F3N3O2	train	42
C9H6F3NO2S	train	5
C9H6FN3O2	train	49
C9H6FNO2	train	42

Subsets and Splits

No community queries yet

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