smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)n2nc(CC(=O)N3CCC[C@@H](c4nnc(CO)n4C)C3)[nH]c2n1 ZINC000217194098 570313648 /nfs/dbraw/zinc/31/36/48/570313648.db2.gz CJVSMALXNUERJU-LLVKDONJSA-N 0 2 386.416 -0.292 50 70 GBIALN Cc1cc(=O)n2nc(CC(=O)N3CCC[C@H](c4nnc(CO)n4C)C3)[nH]c2n1 ZINC000217194105 570313603 /nfs/dbraw/zinc/31/36/03/570313603.db2.gz CJVSMALXNUERJU-NSHDSACASA-N 0 2 386.416 -0.292 50 70 GBIALN