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
C5H4N4O	train	23
C5H4N4O2	train	10
C5H4N4S	train	38
C5H4N6O3S	train	8
C5H5ClN2O	train	8
C5H5F2N3O2	train	8
C5H5FN2O2	train	5
C5H5N5	train	64
C5H5N5O	train	20
C5H5NO2S	train	13
C5H5NO3	train	4
C5H5NO3S	train	15
C5H6ClN3O	train	16
C5H6N2O2S	train	17
C5H6N2O3	train	45
C5H6N2O4	train	5
C5H6N2OS	train	8
C5H6O4	train	6
C5H6O5	train	4
C5H7N3O2	train	95
C5H7N3O3	train	5
C5H7N5O	train	5
C5H7NO3	train	17
C5H7NO4S	train	5
C5H8N2O5	train	25
C5H8N4O3S2	train	20
C5H8O4	train	17
C5H8O4S	train	4
C5H9N3S	train	5
C5H9NO2	train	5
C5H9NO3	train	21
C5H9NO4	train	74
C5H9NO4S	train	13
C60H100O29	train	10
C60H102O29	train	29
C60H92N8O11	train	20
C60H96O22	train	13
C60H96O28	train	33
C60H96O30	train	35
C60H98O29	train	17
C61H94O30	train	11
C61H96O29	train	5
C61H98O28	train	4
C62H111N11O12	train	29
C62H111N11O13	train	2
C62H113N11O12	train	19
C62H84N14O6	train	10
C62H86N12O16	train	5
C62H96O31	train	18
C62H96O32	train	14
C63H102O31	train	11
C63H102O33	train	14
C63H111N11O12	train	32
C63H85N8O17+	train	4
C63H98O30	train	23
C64H100O31	train	8
C64H104O34	train	11
C64H96O26	train	6
C65H104O30	train	10
C65H106O30	train	21
C65H106O32	train	11
C66H102O33	train	13
C66H106O32	train	26
C66H108O32	train	7
C67H104O33	train	10
C67H108O25	train	8
C67H108O33	train	3
C67H108O34	train	3
C68H106O33	train	14
C69H108O32	train	12
C6H10N2O2	train	16
C6H10N2O5	train	20
C6H10N4O2	train	3
C6H10N6	train	5
C6H10N6O	train	10
C6H10NO8P	train	5
C6H10O4	train	38
C6H10O5	train	15
C6H10O5S	train	8
C6H10O7	train	15
C6H10O8	train	5
C6H11N3O	train	14
C6H11NO2S	train	5
C6H11NO3	train	49
C6H11NO3S	train	18
C6H11NO4S	train	28
C6H11NOS2	train	10
C6H11O7P	train	10
C6H12F2N2O2	train	37
C6H12N2O3	train	10
C6H12N4O2	train	5
C6H12O4	train	5
C6H12O5	train	15
C6H12O6	train	98
C6H12O7	train	39
C6H13N3O3	train	10
C6H13N5	train	13
C6H13N5O	train	13
C6H13NO2	train	48
C6H13NO3	train	25

Subsets and Splits

No community queries yet

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