smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)C(=N[N-]c1nn[n-]n1)C(C)=O 104131542 1423473797 /nfs/dbraw/zinc/47/37/97/1423473797.db2.gz FORHLHXZPYLRDS-BQYQJAHWSA-N -2 1 196.170 -0.170 40 10 ABCBML CC(=O)C(N=Nc1nnn[n-]1)C(C)=O 104131537 1423509975 /nfs/dbraw/zinc/50/99/75/1423509975.db2.gz FORHLHXZPYLRDS-FPLPWBNLSA-N -2 1 196.170 -0.170 40 10 ABCBML CC(=O)C(=N[N-]c1nn[n-]n1)C(C)=O 104131537 1423509978 /nfs/dbraw/zinc/50/99/78/1423509978.db2.gz FORHLHXZPYLRDS-FPLPWBNLSA-N -2 1 196.170 -0.170 40 10 ABCBML