Re: [Rdkit-discuss] remove salts + neutralize

The minuses are right. These are the single bonds between the individual aromatic rings and this representation is strictly correct. The OpenBabel representation doesn't mark these bonds as explicitly single and, as they're between two aromatic atoms, the bond type could be inferred to be aromatic.

[Rdkit-discuss] remove salts + neutralize

Dear all, I was trying to remove salts + neutralize several structures: O.[K+].NC(=O)C1=NC(=N[N-]1)C1=CC=CC(=C1)C1=CC(F)=CC=C1OCC(F)(F)C(F)(F)F -->remove salts--> NC(=O)c1nc(-c2(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)n[n-]1 --> neutralize--> NC(=O)c1nc(-c2(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)