#655 Ionization problem

[Pascal Muller]

Ionization can raise hybridization error
Eg O=C1COC=C1 is converted (2.2.99 and 2.3.0, -p7.4) in: [O-]C1=CC=[O]C1

Or there is ionization error, like:
COC1=CC(=O)OC@@H/C=C/c2ccccc2 ZINC00001102
CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C ZINC00001233
CC1([NH+]=C(N=C(N1c2ccc(cc2)Cl)N)N)C ZINC00001233
which are ionized in:
C[O]=C1C=C([O-])OC@@H/C=C/c1ccccc1 ZINC00001102
CC1(N=C+N)N)C ZINC00001233
CC1([N+]=C+N)N)C ZINC00001233

In my opinion, these molecules should not be ionized. Only ZINC00001233 with +1 charge is correct.

Pascal
pascal.jm.muller@gmail.com
Scientific Linux 5.5