smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c(=O)[n-]1 ZINC000015444125 182002209 /nfs/dbraw/zinc/00/22/09/182002209.db2.gz QWXXZXJKXIFQRO-UHFFFAOYSA-N -1 0 312.307 -0.615 30 0 DBACRM