smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSCC[C@H](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000146982666 569867863 /nfs/dbraw/zinc/86/78/63/569867863.db2.gz OBVHKUFUDCPZDW-XHSDSOJGSA-N 0 3 452.581 -0.583 10 30 JBEEHN