smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc2[n-]c(=S)oc2c1 34356390 537791912 /nfs/dbraw/zinc/79/19/12/537791912.db2.gz WAXZLARGANPLES-UHFFFAOYSA-N -2 3 167.189 2.196 20 0 AEADHL Cc1ccc(C(=O)[O-])c(Cl)c1[O-] 107173208 343746956 /nfs/dbraw/zinc/74/69/56/343746956.db2.gz FFSHREJSKSAWDX-UHFFFAOYSA-N -2 3 186.594 2.052 20 0 AEADHL