smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2nc(NN=C3C(=O)N(C)C(=O)N(C)C3=O)n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000059522939 554404249 /nfs/dbraw/zinc/40/42/49/554404249.db2.gz LSDRLFWKXNESSS-NSHDSACASA-N 0 2 532.901 -0.665 50 30 KBEALN Cn1c2nc(NN=C3C(=O)N(C)C(=O)N(C)C3=O)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000059522942 554404376 /nfs/dbraw/zinc/40/43/76/554404376.db2.gz LSDRLFWKXNESSS-LLVKDONJSA-N 0 2 532.901 -0.665 50 30 KBEALN