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](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000008076396 568490194 /nfs/dbraw/zinc/49/01/94/568490194.db2.gz AZOFEHCPMBRNFD-BZSNNMDCSA-N 1 3 421.542 -0.131 10 0 HBAEHO