smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSC(=S)[N-]Cc1ccco1 36644062 168296594 /nfs/dbraw/zinc/29/65/94/168296594.db2.gz DIWADWCUTPPHLY-UHFFFAOYSA-N -1 1 187.289 2.017 40 10 AECBMM CSC(=S)[N-]Cc1ccccc1 2033962 168296658 /nfs/dbraw/zinc/29/66/58/168296658.db2.gz JUTAFHRHNRXJPU-UHFFFAOYSA-N -1 1 197.328 2.424 40 10 AECBMM