SMILES stringlengths 9 127 | Count int64 1 1 |
|---|---|
[H][C@@]12[O][C@@]3([H])[C](=[O])[C@]1([H])[C@@]23[C]#[N] | 1 |
[H][C@@]12[O][C@@]3([H])[C](=[O])[C@]1([H])[N@H+]1[C@]2([H])[C@]13[H] | 1 |
[H][C@@]12[O][C@@]3([H])[C](=[O])[C@]4([H])[C@@]([H])([C@]14[H])[C@@]23[H] | 1 |
[H][C@@]12[O][C@@]3([H])[C](=[O])[C](=[O])[C@]1([H])[C@@]23[H] | 1 |
[H][C@@]12[O][C@@]3([H])[C](=[O])[N]4[C@]1([H])[C@@]4([H])[C@@]23[H] | 1 |
[H][C@@]12[O][C@]1([H])[C](=[O])[C@]1([H])[O][C@]21[H] | 1 |
[H][C@@]12[O][C@]3([H])[C@@]1([H])[C@]1([H])[O][C@]2([H])[C@]31[H] | 1 |
[H][C@@]12[O][C@]3([H])[C@@]4([H])[C@]3([H])[C@@]3([H])[C@]1([H])[C@]2([H])[C@@]43[H] | 1 |
[H][C@@]12[O][C@]3([H])[C@]4([H])[N@H+]5[C@@]([H])([C@]34[H])[C@]1([H])[C@]52[H] | 1 |
[H][C@@]12[O][C](=[O])[C@@]([H])([O]1)[C@@]1([H])[O][C@@]21[H] | 1 |
[H][C@@]12[O][C](=[O])[C@@]3([H])[C@@]4([H])[C@]1([H])[C@]2([H])[C@@]34[H] | 1 |
[H][C@@]12[O][C](=[O])[C@@]3([H])[C@]1([H])[N@H+]1[C@]2([H])[C@]13[H] | 1 |
[H][C@@]12[O][C](=[O])[C@@]3([H])[N@H+]4[C@]1([H])[C@@]4([H])[C@@]23[H] | 1 |
[H][C@@]12[O][C](=[O])[C@@]3([H])[N@H+]4[C@]1([H])[C@]2([H])[C@]43[H] | 1 |
[H][C@@]12[O][C](=[O])[N]3[C@]1([H])[C@]1([H])[C@@]3([H])[C@]21[H] | 1 |
[H][C@@]12[O][C](=[O])[N]3[C](=[O])[C@]1([H])[C@]32[H] | 1 |
[H][C@]1([C]#[C][C]#[N])[O][C@@]1([H])[C]#[N] | 1 |
[H][C@]1([C]#[N])[C@@]([H])([C]#[N])[C@@]1([H])[C]#[N] | 1 |
[H][C@]1([C]#[N])[C@@]2([H])[C@@]3([H])[O][C@@]3([H])[C@@]12[H] | 1 |
[H][C@]1([C]#[N])[C@@]2([H])[C@]3([H])[C@@]2([H])[C@]2([H])[C@@]1([H])[C@@]23[H] | 1 |
[H][C@]1([C]#[N])[C@@]2([H])[O][C@@]([H])([C]#[N])[C@@]12[H] | 1 |
[H][C@]1([C]#[N])[C@]2([H])[C](=[O])[N]3[C@]2([H])[C@]31[H] | 1 |
[H][C@]1([C]#[N])[C@]2([H])[N@H+]3[C@@]4([H])[C@]2([H])[C@@]4([H])[C@]31[H] | 1 |
[H][C@]1([C]#[N])[O][C@@]1([H])[C]#[N] | 1 |
[H][C@]1([C]#[N])[O][C]1([C]#[N])[C]#[N] | 1 |
[H][C@]12[C@]3([H])[C@@]1([H])[C@@]1([C]#[N])[C@]3([H])[C@@]21[H] | 1 |
[H][C@]12[C@]3([H])[C@@]1([H])[C@@]1([H])[C@]3([H])[C@@]21[H] | 1 |
[H][C@]12[C@]3([H])[C@@]1([H])[C@@]1([H])[C@]4([H])[C@@]1([H])[C@@]2([H])[C@@]43[H] | 1 |
[H][C@]12[C@]3([H])[C@]4([H])[C@@]1([H])[C@]1([H])[C@@]2([H])[C@@]3([H])[C@]41[H] | 1 |
[H][C@]12[CH2][C@]3([H])[N@@H+]4[C@@]1([H])[C@@]1([H])[C@]4([H])[C@]3([H])[C@@]21[H] | 1 |
[H][C@]12[C](=[O])[C@]3([H])[C@@]1([H])[C@@]1([H])[C@]3([H])[C@@]21[H] | 1 |
[H][C@]12[C](=[O])[C@]3([H])[C@@]1([H])[N@H+]1[C@]3([H])[C@]12[H] | 1 |
[H][C@]12[C](=[O])[C@]3([H])[C@]4([H])[C@@]1([H])[C@@]2([H])[C@]34[H] | 1 |
[H][C@]12[C](=[O])[O][C@]3([H])[C@]([H])([C]1=[O])[C@]23[H] | 1 |
[H][C@]12[N@@H+]3[C@@]1([H])[C@@]1([H])[C@]3([C]#[N])[C@@]21[H] | 1 |
[H][C@]12[N@@H+]3[C@@]1([H])[C@@]1([H])[C@]3([H])[C@@]3([H])[C@]2([H])[C@@]13[H] | 1 |
[H][C@]12[N@@H+]3[C@@]1([H])[C@]1([H])[C@@]2([H])[C@]1([H])[C@]3([H])[C]#[N] | 1 |
[H][C@]12[N@@H+]3[C@]4([H])[C@@]1([H])[C@@]2([H])[C@]4([H])[C@]3([H])[C]#[N] | 1 |
[H][C@]12[N@H+]3[C@]4([H])[C](=[O])[C@@]3([H])[C@@]1([H])[C@]24[H] | 1 |
[H][C@]12[NH+]3[C@@]4([H])[C@]([H])([NH+]5[C@]1([H])[C@]54[H])[C@@]32[H] | 1 |
[H][C@]12[NH+]3[C@]4([H])[C@@]1([H])[C@@]1([H])[C@]4([H])[C@]3([H])[C@@]21[H] | 1 |
[H][C@]12[NH+]3[C@]4([H])[C@@]1([H])[NH+]1[C@@]2([H])[C@@]3([H])[C@@]14[H] | 1 |
[H][C@]12[N]3[C](=[O])[N]4[C@@]1([H])[C@]4([H])[C@@]32[H] | 1 |
[H][C@]12[O][C@@]1([H])[C@@]1([C]#[N])[O][C@@]21[H] | 1 |
[H][C@]12[O][C@@]1([H])[C@@]1([H])[C@]3([H])[N@@H+]4[C@@]1([H])[C@]4([H])[C@]23[H] | 1 |
[H][C@]12[O][C@@]1([H])[C@@]1([H])[N@@H+]3[C@@]4([H])[C@]3([H])[C@]2([H])[C@]41[H] | 1 |
[H][C@]12[O][C@@]1([H])[C@@]1([H])[O][C@@]1([H])[C@@]1([H])[O][C@@]21[H] | 1 |
[H][C@]12[O][C@@]1([H])[C@@]1([H])[O][C@@]21[H] | 1 |
[H][C@]12[O][C@@]1([H])[C@@]1([H])[O][C@@]3([H])[C@]2([H])[O][C@]31[H] | 1 |
[H][C@]12[O][C@@]1([H])[C@]1([H])[C@@]2([H])[O][C@]1([H])[C]#[N] | 1 |
[H][C@]12[O][C@@]1([H])[C@]1([H])[C@]3([H])[C@@]2([H])[C@]2([H])[C@@]1([H])[C@]32[H] | 1 |
[H][C@]12[O][C@@]1([H])[C@]1([H])[N@H+]3[C@@]4([H])[C@]1([H])[C@@]4([H])[C@]32[H] | 1 |
[H][C@]12[O][C@@]1([H])[C@]1([H])[N@H+]3[C@]1([H])[C@]1([H])[C@@]3([H])[C@]21[H] | 1 |
[H][C@]12[O][C@@]1([H])[C](=[O])[O][C@@]2([H])[C]#[N] | 1 |
[H][C@]12[O][C@@]3([H])[C](=[O])[C@]4([H])[N@H+]([C@@]13[H])[C@]24[H] | 1 |
[H][C@]12[O][C@]([H])([C@]3([H])[O][C@]13[H])[C@]1([H])[O][C@]21[H] | 1 |
[H][C@]12[O][C@]([H])([C]#[N])[C@]3([H])[O][C@@]1([H])[C@]23[H] | 1 |
[H][C@]12[O][C@]([H])([C](=[O])[O-])[C@@]1([H])[C@@]2([H])[N+]([H])([H])[H] | 1 |
[H][C@]12[O][C@]3([C]#[N])[C@@]1([H])[O][C@]23[H] | 1 |
[H][C@]12[O][C@]3([C]#[N])[C@]4([H])[C@@]1([H])[C@]4([H])[C@]23[H] | 1 |
[H][C@]12[O][C@]3([H])[C@@]1([H])[C@@]1([C]#[N])[C@]3([H])[C@@]21[H] | 1 |
[H][C@]12[O][C@]3([H])[C@@]1([H])[C@@]1([H])[C@]3([H])[C@@]21[H] | 1 |
[H][C@]12[O][C@]3([H])[C@@]1([H])[C@]1([H])[C@@]2([H])[C@]2([H])[C@@]3([H])[C@@]21[H] | 1 |
[H][C@]12[O][C@]3([H])[C@@]1([H])[C@]1([H])[C@@]2([H])[C@]31[C]#[N] | 1 |
[H][C@]12[O][C@]3([H])[C@@]1([H])[C@]1([H])[C@]4([H])[C@@]2([H])[C@@]3([H])[C@]14[H] | 1 |
[H][C@]12[O][C@]3([H])[C@@]1([H])[C](=[O])[C@]1([H])[C@@]2([H])[C@]31[H] | 1 |
[H][C@]12[O][C@]3([H])[C@@]1([H])[N@@H+]1[C@@]2([H])[C@@]13[C]#[N] | 1 |
[H][C@]12[O][C@]3([H])[C@@]1([H])[N@@H+]1[C@@]2([H])[C@@]2([H])[C@]1([H])[C@@]32[H] | 1 |
[H][C@]12[O][C@]3([H])[C@@]1([H])[N@@H+]1[C@@]4([H])[C@]1([H])[C@]3([H])[C@@]24[H] | 1 |
[H][C@]12[O][C@]3([H])[C@@]1([H])[N@H+]1[C@]3([H])[C@]12[H] | 1 |
[H][C@]12[O][C@]3([H])[C@@]1([H])[N@H+]1[C@]3([H])[C](=[O])[C@]12[H] | 1 |
[H][C@]12[O][C@]3([H])[C@@]1([H])[O][C@]23[H] | 1 |
[H][C@]12[O][C@]3([H])[C@@]4([H])[C@]5([H])[N@H+]([C@@]14[H])[C@@]2([H])[C@]35[H] | 1 |
[H][C@]12[O][C@]3([H])[C@@]4([H])[N@H+]([C@@]14[H])[C@]1([H])[C@@]2([H])[C@]31[H] | 1 |
[H][C@]12[O][C@]3([H])[C@]4([H])[C@@]1([H])[C@@]2([C]#[N])[C@]34[H] | 1 |
[H][C@]12[O][C@]3([H])[C@]4([H])[C@@]1([H])[C@@]2([H])[C@]34[H] | 1 |
[H][C@]12[O][C@]3([H])[C@]4([H])[C@@]1([H])[C@]4([H])[C@]23[C]#[N] | 1 |
[H][C@]12[O][C@]3([H])[C@]4([H])[C](=[O])[C@@]1([H])[C@@]2([H])[C@]34[H] | 1 |
[H][C@]12[O][C@]3([H])[C@]4([H])[C](=[O])[C@@]1([H])[C@]4([H])[C@]23[H] | 1 |
[H][C@]12[O][C@]3([H])[C@]4([H])[N@H+]5[C@]4([H])[C@]([H])([C@]51[H])[C@]23[H] | 1 |
[H][C@]12[O][C@]3([H])[C@]4([H])[O][C@@]1([H])[C@@]2([H])[C@@]43[H] | 1 |
[H][C@]12[O][C@]3([H])[C@]4([H])[O][C@@]1([H])[C@@]2([H])[O][C@]34[H] | 1 |
[H][C@]12[O][C@]3([H])[C@]4([H])[O][C@@]1([H])[C@]4([H])[C@]3([H])[O]2 | 1 |
[H][C@]12[O][C@]3([H])[C@]4([H])[O][C@@]1([H])[C@]4([H])[O][C@]23[H] | 1 |
[H][C@]12[O][C@]3([H])[C](=[O])[C@@]1([H])[C@]1([H])[C@@]2([H])[C@@]13[H] | 1 |
[H][C@]12[O][C@]3([H])[C](=[O])[C@@]1([H])[O][C@]23[H] | 1 |
[H][C@]12[O][C@]3([H])[C](=[O])[C@]4([H])[C@@]1([H])[C@@]2([H])[C@@]43[H] | 1 |
[H][C@]12[O][C@]3([H])[C](=[O])[N]4[C@@]1([H])[C@@]2([H])[C@@]43[H] | 1 |
[H][C@]12[O][C](=[O])[C@]3([H])[C@]4([H])[C@@]1([H])[C@]4([H])[C@]23[H] | 1 |
[H][C@]12[O][C](=[O])[C@]3([H])[O][C@@]1([H])[C@]23[H] | 1 |
[H][C@]12[O][C](=[O])[O][C@@]1([H])[C@@]1([H])[O][C@@]21[H] | 1 |
[H][C]#[C]/[C](=[N]/[C@@]([H])([C]#[N])[C]([H])([H])[H])[N]([H])[H] | 1 |
[H][C]#[C]/[C](=[N]/[C]([H])([H])[C]#[N])[N]([H])[H] | 1 |
[H][C]#[C]/[C](=[N]/[C]([H])([H])[C](=[O])[O][H])[N]([H])[H] | 1 |
[H][C]#[C]/[C](=[N]/[H])[N]([C]([H])=[O])[C]([H])=[O] | 1 |
[H][C]#[C]/[C](=[N]/[H])[N]1[C](=[O])[C]([H])([H])[C]1([H])[H] | 1 |
[H][C]#[C]/[C](=[N]/[H])[N]1[C]([H])([H])[C@@]1([H])[C]#[C][H] | 1 |
[H][C]#[C]/[C](=[N]/[H])[N]1[C]([H])([H])[C@@]1([H])[C]#[N] | 1 |
[H][C]#[C]/[C](=[N]/[H])[N]1[C]([H])([H])[C](=[O])[C]1([H])[H] | 1 |
[H][C]#[C]/[C](=[N]/[O][H])[C@@]1([C]([H])([H])[H])[N]([H])[C]1([H])[H] | 1 |
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