smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([O-])c1cc([O-])c(/N=C/c2ccccc2)c2ccccc21 ZINC000098083297 219080808 /nfs/dbraw/zinc/08/08/08/219080808.db2.gz PVCJDEICKLYYOU-WOJGMQOQSA-N -2 1 327.361 3.543 1 30 EHEFML O=C1c2cccc([O-])c2C(=O)c2c([O-])cc(/C=N/c3ccccc3)cc21 ZINC000103268096 219278688 /nfs/dbraw/zinc/27/86/88/219278688.db2.gz QSKWEULINLMCGS-SSDVNMTOSA-N -2 1 343.338 3.624 1 30 EHEFML