smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000004899780 571005118 /nfs/dbraw/zinc/00/51/18/571005118.db2.gz HTYMMICSVLHGRB-PMACEKPBSA-N 2 3 399.539 1.848 10 0 GDAEHP