formula stringlengths 5 17 | fold stringclasses 3
values | n_spectra int64 1 627 |
|---|---|---|
C18H17ClN2O2 | test | 144 |
C18H17F2N3O | test | 19 |
C18H17F2N3O2 | test | 81 |
C18H17F2N5 | test | 10 |
C18H17F3N2O3S | test | 21 |
C18H17F3N4O2 | test | 27 |
C18H17FINO2 | test | 10 |
C18H17FN4OS | test | 24 |
C18H17FN6O3 | test | 16 |
C18H17N3O5 | test | 8 |
C18H17N5O | test | 159 |
C18H17N7O2 | test | 36 |
C18H18Cl2N2O | test | 16 |
C18H18ClN3O | test | 97 |
C18H18F3N3O3 | test | 51 |
C18H18F3N3OS | test | 8 |
C18H18FN3O | test | 35 |
C18H18FN5OS | test | 5 |
C18H18N2O4S | test | 31 |
C18H18N4O3 | test | 288 |
C18H18N6O3 | test | 8 |
C18H19BrN2O2 | test | 16 |
C18H19Cl2FN4O2 | test | 9 |
C18H19ClFN3O | test | 18 |
C18H19ClFN5O | test | 8 |
C18H19F3N2O | test | 16 |
C18H19FN2O4S | test | 34 |
C18H19FN4O4 | test | 8 |
C18H19N3 | test | 18 |
C18H19N3O3S | test | 124 |
C18H19N3S | test | 9 |
C18H19N5O3 | test | 58 |
C18H19N5OS2 | test | 5 |
C18H19N5S | test | 35 |
C18H19N7O | test | 88 |
C18H19NOS2 | test | 6 |
C18H20ClFN2O3S2 | test | 23 |
C18H20ClN3O | test | 40 |
C18H20ClN3O2S | test | 21 |
C18H20ClN3O4 | test | 10 |
C18H20ClN5 | test | 24 |
C18H20ClN9S2 | test | 5 |
C18H20ClNO3 | test | 13 |
C18H20F2N4O4 | test | 8 |
C18H20F2N8O | test | 8 |
C18H20F3N3O3S | test | 16 |
C18H20F3N3OS | test | 8 |
C18H20FN3O | test | 42 |
C18H20FN5O | test | 36 |
C18H20FNO2 | test | 42 |
C18H20N2 | test | 16 |
C18H20N2O3S3 | test | 10 |
C18H20N2O4S3 | test | 11 |
C18H20N6O4 | test | 14 |
C18H20O6 | test | 8 |
C18H21F3N4O3 | test | 8 |
C18H21FN4 | test | 5 |
C18H21FN4O | test | 85 |
C18H21FN4O2S | test | 8 |
C18H21FN6 | test | 13 |
C18H21FN6OS | test | 5 |
C18H21N3O2 | test | 283 |
C18H21N3O4S | test | 28 |
C18H21N3O7 | test | 10 |
C18H21N7O2 | test | 33 |
C18H21N9 | test | 8 |
C18H21NO | test | 10 |
C18H21NO2S2 | test | 26 |
C18H21NS2 | test | 5 |
C18H22BrN5O3 | test | 11 |
C18H22ClNO3 | test | 30 |
C18H22F2N4O2 | test | 5 |
C18H22F3N3O3S2 | test | 8 |
C18H22N2O3S2 | test | 13 |
C18H22N2O5S | test | 41 |
C18H22N4 | test | 8 |
C18H22N4O2S2 | test | 13 |
C18H22N6 | test | 43 |
C18H23ClN2O2S | test | 8 |
C18H23F3N2O3 | test | 8 |
C18H23N3O4 | test | 140 |
C18H23N7 | test | 24 |
C18H23NO3 | test | 207 |
C18H24FNO2 | test | 12 |
C18H24N2O2S | test | 96 |
C18H24N2OS2 | test | 18 |
C18H24N4O5 | test | 13 |
C18H24N8O3 | test | 12 |
C18H25FN2O2 | test | 40 |
C18H25N5O4 | test | 53 |
C18H25NO5 | test | 34 |
C18H26F3N3O2 | test | 5 |
C18H26FN3O6 | test | 10 |
C18H26N4O | test | 39 |
C18H26N4OS | test | 63 |
C18H26N6O | test | 154 |
C18H26O12 | test | 10 |
C18H27N3O | test | 70 |
C18H28F3N3O2 | test | 12 |
C18H28N2O2S | test | 8 |
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