smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(OCC(N)=[NH2+])c(Cl)c(C)c1Cl ZINC000217374247 178208131 /nfs/dbraw/zinc/20/81/31/178208131.db2.gz DRKNSPYTHDQJJO-UHFFFAOYSA-N 1 0 247.125 2.925 40 70 BFIBRO