smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)C[C@H]([NH3+])CC(N)=O 29233195 717118377 /nfs/dbraw/zinc/11/83/77/717118377.db2.gz REGDYNAILOUUBN-ZCFIWIBFSA-O 2 1 160.241 -1.105 1 5 AABFMP C[N+](C)(C)C[C@@H]([NH3+])CC(N)=O 29233188 717118564 /nfs/dbraw/zinc/11/85/64/717118564.db2.gz REGDYNAILOUUBN-LURJTMIESA-O 2 1 160.241 -1.105 1 5 AABFMP