smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCOc1cccc(C)c1 ZINC000020175950 558343926 /nfs/dbraw/zinc/34/39/26/558343926.db2.gz AIJAZDFFRCFYQC-UYRXBGFRSA-N -1 1 415.536 5.181 20 0 HKADMM