smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)C[N+]#N ZINC000040405789 205064228 /nfs/dbraw/zinc/06/42/28/205064228.db2.gz UFLVBAHRXSEHDC-KWQFWETISA-N 2 1 386.193 0.535 1 10 GCCFMP