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)[C@H]1NC(=O)[C@H](Cc2ccccc2)Nc2cc(nc(NCCO)n2)CCNC(=O)[C@H](C)NC1=O ZINC000952859347 1068630722 /nfs/dbraw/zinc/63/07/22/1068630722.db2.gz RHMZIZUXTQNBIC-NBHGPNQESA-N 0 3 497.600 -0.413 50 30 JBEAHN