smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [S-]c1ccc2oc3ccc(S)cc3c2c1 ZINC000004322367 384056993 /nfs/dbraw/zinc/05/69/93/384056993.db2.gz LIFURHPURLAPEN-UHFFFAOYSA-N -1 2 232.329 4.163 50 0 BIAALM [S-]c1ccc2c(c1)oc1cc(S)ccc12 ZINC000020027279 342966339 /nfs/dbraw/zinc/96/63/39/342966339.db2.gz MAGSMDACLZTBEP-UHFFFAOYSA-N -1 2 232.329 4.163 50 0 BIAALM [S-]c1ccc(Oc2ccc(S)cc2)cc1 ZINC000020028149 342966684 /nfs/dbraw/zinc/96/66/84/342966684.db2.gz WREGWRFRXHKFGE-UHFFFAOYSA-N -1 2 234.345 4.056 50 0 BIAALM [S-]c1ccc(/C=C/c2ccc(S)cc2)cc1 ZINC000043763989 187268687 /nfs/dbraw/zinc/26/86/87/187268687.db2.gz FOYJDMJLWTYTCC-OWOJBTEDSA-N -1 2 244.384 4.434 50 0 BIAALM