smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(OCCCC[NH2+]CC[NH3+])c([N+](=O)[O-])c1 ZINC000003000937 375502386 /nfs/dbraw/zinc/50/23/86/375502386.db2.gz FCDRPLHEZGVPDI-UHFFFAOYSA-N 2 1 267.329 1.611 50 5 CDBAMP Cc1[nH+]ccn1-c1ccc([N+](=O)[O-])c(N2CC[NH2+]CC2)c1 ZINC000038518557 274859691 /nfs/dbraw/zinc/85/96/91/274859691.db2.gz GZKDDOUOFDEZFL-UHFFFAOYSA-N 2 1 287.323 1.499 50 5 CDBAMP