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)[n-]c2n1 ZINC000217194098 570313646 /nfs/dbraw/zinc/31/36/46/570313646.db2.gz CJVSMALXNUERJU-LLVKDONJSA-N -1 0 386.416 -0.292 50 70 GBIARM Cc1cc(=O)n2nc(CC(=O)N3CCC[C@H](c4nnc(CO)n4C)C3)[n-]c2n1 ZINC000217194105 570313598 /nfs/dbraw/zinc/31/35/98/570313598.db2.gz CJVSMALXNUERJU-NSHDSACASA-N -1 0 386.416 -0.292 50 70 GBIARM