formula stringlengths 5 17 | fold stringclasses 3
values | n_spectra int64 1 627 |
|---|---|---|
C18H14FNO2S | train | 6 |
C18H14FNO4 | train | 13 |
C18H14IN5O2 | train | 21 |
C18H14N2O2S | train | 18 |
C18H14N2O3 | train | 92 |
C18H14N2O3S | train | 24 |
C18H14N2O4 | train | 43 |
C18H14N2O4S | train | 10 |
C18H14N2O5 | train | 5 |
C18H14N2OS | train | 17 |
C18H14N4 | train | 6 |
C18H14N4O | train | 68 |
C18H14N4O2 | train | 141 |
C18H14N4O2S | train | 26 |
C18H14N4O3 | train | 41 |
C18H14N4O4 | train | 69 |
C18H14N4O5 | train | 29 |
C18H14N4O5S | train | 29 |
C18H14N4OS | train | 34 |
C18H14N4OS3 | train | 10 |
C18H14N4S | train | 41 |
C18H14N6O | train | 24 |
C18H14N6O2 | train | 35 |
C18H14N6OS2 | train | 8 |
C18H14N6S | train | 24 |
C18H14N8S2 | train | 15 |
C18H14O4 | train | 18 |
C18H14O5 | train | 24 |
C18H14O8 | train | 23 |
C18H15BrClN3OS | train | 5 |
C18H15BrN2O2 | train | 8 |
C18H15BrN2O4S | train | 16 |
C18H15BrN4 | train | 5 |
C18H15BrN4O2S2 | train | 16 |
C18H15Cl2N3O3 | train | 32 |
C18H15Cl2N5O5S3 | train | 18 |
C18H15Cl3N2O | train | 24 |
C18H15Cl3N2S | train | 10 |
C18H15Cl4N3OS | train | 20 |
C18H15ClF3N3O2 | train | 16 |
C18H15ClFN3O2S | train | 8 |
C18H15ClFN5O2 | train | 10 |
C18H15ClN2O2S | train | 13 |
C18H15ClN2O3 | train | 75 |
C18H15ClN2O6S2 | train | 18 |
C18H15ClN2OS | train | 43 |
C18H15ClN2S | train | 5 |
C18H15ClN4 | train | 21 |
C18H15ClN4O | train | 39 |
C18H15ClN4O2 | train | 28 |
C18H15ClN4S | train | 5 |
C18H15ClN6OS | train | 13 |
C18H15ClN6OS2 | train | 21 |
C18H15F2N3O4S2 | train | 20 |
C18H15F2N5O2 | train | 15 |
C18H15F3N2O2 | train | 27 |
C18H15F3N2O3 | train | 8 |
C18H15F3N4O2 | train | 28 |
C18H15F3N4O3 | train | 16 |
C18H15F3N4O3S | train | 47 |
C18H15F3N4O4 | train | 15 |
C18H15FIN3O4 | train | 21 |
C18H15FN2O2 | train | 25 |
C18H15FN2O3 | train | 28 |
C18H15FN2OS | train | 21 |
C18H15FN2S | train | 13 |
C18H15FN4O | train | 33 |
C18H15FN4O4S2 | train | 13 |
C18H15FN4S | train | 24 |
C18H15FN6O | train | 5 |
C18H15IN4O2 | train | 32 |
C18H15N3O | train | 26 |
C18H15N3O2S | train | 18 |
C18H15N3O3 | train | 87 |
C18H15N3O3S | train | 8 |
C18H15N3O4 | train | 58 |
C18H15N3O4S | train | 18 |
C18H15N3O5 | train | 5 |
C18H15N3OS | train | 18 |
C18H15N3S | train | 26 |
C18H15N5 | train | 21 |
C18H15N5O | train | 50 |
C18H15N5O2 | train | 98 |
C18H15N5O2S | train | 15 |
C18H15N5O3 | train | 23 |
C18H15N5O3S | train | 13 |
C18H15N5O3S2 | train | 20 |
C18H15N5O6S2 | train | 18 |
C18H15N5OS | train | 52 |
C18H15N7 | train | 43 |
C18H15NO2S | train | 34 |
C18H15NO3 | train | 21 |
C18H15NO3S | train | 26 |
C18H15NO4S | train | 41 |
C18H15NO4S3 | train | 5 |
C18H15NO5 | train | 48 |
C18H15NO8S2 | train | 15 |
C18H16BrN3O2 | train | 5 |
C18H16BrN3O2S | train | 15 |
C18H16BrN3O3 | train | 10 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.