smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2nc(CCc3cccc(N)c3)[nH]c2c1 ZINC000004243970 368538475 /nfs/dbraw/zinc/53/84/75/368538475.db2.gz OLLSJOABQGIRFX-UHFFFAOYSA-N 0 1 251.333 3.239 30 0 CGACMN