smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3CN2CCN(c3ncccn3)CC2)c1 ZINC000067870879 560050458 /nfs/dbraw/zinc/05/04/58/560050458.db2.gz FEWQYKVMTUALGP-QNWVGRARSA-N 2 1 460.586 2.002 40 30 biogenic,in-vitro JEEBMP