formula stringlengths 5 17 | fold stringclasses 3
values | n_spectra int64 1 627 |
|---|---|---|
C11H9IN2S | train | 16 |
C11H9N3O4 | train | 5 |
C11H9N3S | train | 5 |
C11H9N5O2S2 | train | 13 |
C11H9NO2S | train | 147 |
C11H9NO3 | train | 332 |
C11H9NO3S | train | 51 |
C11H9NO4 | train | 10 |
C11H9NO4S2 | train | 8 |
C12H10BrN3O2 | train | 8 |
C12H10BrN3O3 | train | 13 |
C12H10BrN3OS | train | 19 |
C12H10BrN5 | train | 19 |
C12H10BrN7 | train | 18 |
C12H10BrNO2S | train | 8 |
C12H10BrNO3S2 | train | 8 |
C12H10Cl2N2O3 | train | 20 |
C12H10Cl2N2OS2 | train | 8 |
C12H10Cl2N2S2 | train | 5 |
C12H10Cl2N4O2S | train | 13 |
C12H10Cl2N4OS | train | 8 |
C12H10ClF3N4OS | train | 13 |
C12H10ClFN2O3 | train | 8 |
C12H10ClFN6O | train | 28 |
C12H10ClN3O | train | 26 |
C12H10ClN3O2 | train | 7 |
C12H10ClN3O4S3 | train | 10 |
C12H10ClN5O3 | train | 10 |
C12H10ClNO3 | train | 28 |
C12H10ClNO5S2 | train | 8 |
C12H10F2N2O2 | train | 40 |
C12H10F2N2O3 | train | 5 |
C12H10F3N3 | train | 16 |
C12H10F3N3O3S | train | 8 |
C12H10F3N3O4 | train | 25 |
C12H10F3N3OS | train | 24 |
C12H10F3NO3 | train | 23 |
C12H10F3NO3S | train | 10 |
C12H10FN3O2 | train | 13 |
C12H10FN3O2S | train | 10 |
C12H10FN3O4 | train | 16 |
C12H10FNO | train | 5 |
C12H10FNO2S | train | 8 |
C12H10FNO4 | train | 13 |
C12H10FNO4S2 | train | 8 |
C12H10INO | train | 8 |
C12H10INO2 | train | 5 |
C12H10N2 | train | 10 |
C12H10N2O | train | 18 |
C12H10N2O3 | train | 36 |
C12H10N2O5 | train | 13 |
C12H10N4O2 | train | 21 |
C12H10N4O2S2 | train | 20 |
C12H10N4O2S3 | train | 5 |
C12H10O3 | train | 18 |
C12H10O4S | train | 8 |
C12H10O5 | train | 28 |
C12H11BrFN3O | train | 5 |
C12H11BrN2O | train | 8 |
C12H11BrN2O2 | train | 5 |
C12H11BrN2O2S | train | 5 |
C12H11BrN2OS | train | 26 |
C12H11BrN2OS2 | train | 5 |
C12H11BrN4O | train | 5 |
C12H11BrN4OS | train | 15 |
C12H11Cl2FN2O2 | train | 13 |
C12H11Cl2N5OS | train | 13 |
C12H11Cl2NO3S | train | 8 |
C12H11ClF3N5 | train | 17 |
C12H11ClFN3O | train | 8 |
C12H11ClFNO3 | train | 41 |
C12H11ClN2O2 | train | 29 |
C12H11ClN2O2S | train | 10 |
C12H11ClN2O3 | train | 13 |
C12H11ClN2O3S2 | train | 16 |
C12H11ClN2O5S | train | 23 |
C12H11ClN4O4S | train | 23 |
C12H11ClN6O2S2 | train | 10 |
C12H11ClN8O | train | 23 |
C12H11F2N3O2 | train | 8 |
C12H11F2N3O3S | train | 13 |
C12H11F2N7OS | train | 13 |
C12H11F2NO4 | train | 8 |
C12H11F3N4O | train | 16 |
C12H11F3N4O2 | train | 31 |
C12H11FN2O3 | train | 8 |
C12H11FN2O4 | train | 8 |
C12H11FN2O5S2 | train | 13 |
C12H11FN4O2 | train | 8 |
C12H11FN4O3 | train | 10 |
C12H11FN4S | train | 8 |
C12H11FO3 | train | 16 |
C12H11I3N2O4 | train | 10 |
C12H11IN4O | train | 10 |
C12H11N | train | 8 |
C12H11N3 | train | 7 |
C12H11N3O | train | 21 |
C12H11N3O2 | train | 51 |
C12H11N3O2S | train | 8 |
C12H11N3O3 | train | 8 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.