Mercurial > repos > bgruening > openbabel
annotate visualisation/test-data/8_mol.smi @ 22:b4ba90dcfde0 default tip
ChemicalToolBoX update.
| author | Bjoern Gruening <bjoern.gruening@gmail.com> |
|---|---|
| date | Tue, 23 Jul 2013 19:00:18 +0200 |
| parents | 6493d130f018 |
| children |
| rev | line source |
|---|---|
| 0 | 1 C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl |
| 2 C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl | |
| 3 CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC | |
| 4 CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl | |
| 5 CCC1(N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=CC=C5)C=C2N1C6=CC=CC=C6)CC | |
| 6 CCC1(N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=CC=C5)C=C2N1C6=CC=CC=C6)C | |
| 7 CC(=O)OC1=CC=CC=C1C(=O)[O-] | |
| 8 CC(=O)OC1=CC=CC=C1C(=O)[O-] |
