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)N=C2C=C(CCNC(=O)[C@H](C)NC1=O)[NH+]=C(NCCO)N2 ZINC000952859347 1068630702 /nfs/dbraw/zinc/63/07/02/1068630702.db2.gz RHMZIZUXTQNBIC-NBHGPNQESA-N 1 0 497.600 -0.413 50 30 JBEARO