smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2[C@H](O)c2ccc(Cl)cc2)OCCO3)cc1 ZINC000004244677 568939861 /nfs/dbraw/zinc/93/98/61/568939861.db2.gz GWJMVYMUPRMFSK-JOCHJYFZSA-N -1 1 445.924 4.302 30 0 IIACMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2[C@@H](O)c2ccc(Cl)cc2)OCCO3)cc1 ZINC000004244678 568939878 /nfs/dbraw/zinc/93/98/78/568939878.db2.gz GWJMVYMUPRMFSK-QFIPXVFZSA-N -1 1 445.924 4.302 30 0 IIACMM