smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc(/[NH+]=C/C=C/c2ccc([N+](=O)[O-])cc2)cc(C(=O)[O-])c1 ZINC000020457324 212132940 /nfs/dbraw/zinc/13/29/40/212132940.db2.gz VDLUMZBLVKDMLS-RFFZPADBSA-N -1 2 340.291 3.407 40 30 EGEBLM