smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CN(CC(=O)N[C@H](C=O)CCCNC(N)=[NH2+])C(=O)[C@H]1CCCCN1 ZINC000026567064 207316331 /nfs/dbraw/zinc/31/63/31/207316331.db2.gz HDAADYLGQPPNGJ-LSDHHAIUSA-N 1 3 382.509 -0.650 1 30 GBEFHO