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/c2cccc(O)c2)c2ccccc21 ZINC000098083298 219080996 /nfs/dbraw/zinc/08/09/96/219080996.db2.gz GYCLWQFLEPHENJ-VCHYOVAHSA-N -2 1 343.360 3.248 1 30 EGEFML C=CC(C)(C)c1c([O-])c(C=CC(=O)[O-])c2c(c1O)C(=O)CC(C)(C)O2 ZINC000040836111 213391799 /nfs/dbraw/zinc/39/17/99/213391799.db2.gz RCWHURATSALMKC-BQYQJAHWSA-N -2 1 346.379 3.403 1 30 EGEFML