smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](Nc3cc([N+](=O)[O-])ccn3)[C@H]2SC1 ZINC001163077210 1069449146 /nfs/dbraw/zinc/44/91/46/1069449146.db2.gz QREIYCOVHAIOFY-MEBBXXQBSA-N -2 1 493.483 -0.402 20 5 JBBDML Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](Nc3cccc([N+](=O)[O-])n3)[C@H]2SC1 ZINC001163077749 1069450208 /nfs/dbraw/zinc/45/02/08/1069450208.db2.gz ZFCLAISECIDRAT-MEBBXXQBSA-N -2 1 493.483 -0.402 20 5 JBBDML