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
C20H18F3N7O2	val	13
C20H18FN3O3	val	39
C20H18FN3O3S	val	8
C20H18FN3O4	val	8
C20H18N2O2	val	165
C20H18N4O4S2	val	33
C20H18N6O3S2	val	10
C20H18O7	val	10
C20H19ClN2O4	val	8
C20H19F3N4O3	val	5
C20H19FN4	val	8
C20H19FN6O2	val	37
C20H19FN8O	val	8
C20H19N3O3S2	val	32
C20H19N3O4	val	39
C20H19N5O2S	val	10
C20H19NO2	val	152
C20H20ClFN2O2	val	24
C20H20ClN3O2	val	18
C20H20ClN5O3S	val	8
C20H20F2N2O3	val	26
C20H20F3N3O	val	8
C20H20F4N2O2	val	12
C20H20N2O4S2	val	16
C20H20N8	val	11
C20H20O7	val	74
C20H21BrN2O3S	val	15
C20H21Cl2NO3	val	25
C20H21ClN6O	val	20
C20H21FN2O3	val	50
C20H21FN2O4	val	57
C20H21N3O3	val	121
C20H21N3O4	val	39
C20H21N3O4S	val	100
C20H21N3O6S2	val	26
C20H21N5O4S	val	8
C20H21N7O3	val	8
C20H21N7O6S2	val	26
C20H21N7O7	val	13
C20H21NO4S	val	8
C20H22ClN3OS	val	8
C20H22F2N6O2S	val	17
C20H22F3N5O2	val	5
C20H22N2O3	val	326
C20H22N2O4	val	38
C20H22N2O5	val	85
C20H22N4O4	val	13
C20H22N4OS	val	32
C20H22O11	val	16
C20H23BrFN3O2	val	5
C20H23F2N3O4	val	5
C20H23F3N4O	val	26
C20H23FN2O	val	13
C20H23FN6O2S	val	8
C20H23N5OS	val	31
C20H23N7O2	val	8
C20H23NO6	val	10
C20H23NO6S2	val	9
C20H24BrN5O2	val	5
C20H24F2N6O	val	7
C20H24F3N3O3	val	24
C20H24F3N5O3	val	24
C20H24N2O2S	val	21
C20H24N2O3	val	198
C20H24N2O4	val	24
C20H24N4	val	32
C20H24O5	val	71
C20H25ClN2O2S	val	16
C20H25ClN2O6	val	10
C20H25ClN2OS	val	5
C20H25ClN4O2S2	val	56
C20H25ClN4O3	val	8
C20H25ClN4O3S2	val	33
C20H25F3N4O	val	18
C20H25F3N6O3	val	8
C20H25FN4O3S	val	8
C20H25N3O3	val	167
C20H25N3O4S2	val	13
C20H26Cl2N2O3S	val	5
C20H26N2O	val	108
C20H26N2O3S2	val	8
C20H26N4O5	val	8
C20H27N3O2S	val	13
C20H27N3O4S	val	16
C20H27N3O5S	val	76
C20H27N3O6	val	29
C20H27NO5	val	13
C20H28ClN3O3	val	41
C20H28N2O6	val	20
C20H28O10	val	43
C20H28O5	val	94
C20H28O9	val	50
C20H29FN6	val	8
C20H29N3O4	val	16
C20H29N5O2	val	79
C20H29N5O2S	val	5
C20H29NO4	val	13
C20H30N2O4	val	58
C20H30N4O	val	16
C20H30N4O9S2	val	5

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