smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)Cc1cc2[nH]c3c(c[nH+]c4cc(Cl)ccc34)c2cc1OC ZINC000001571821 570501668 /nfs/dbraw/zinc/50/16/68/570501668.db2.gz LLEAEDYSPVHUEP-UHFFFAOYSA-N 2 2 367.880 5.373 40 5 FKBBLP