smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)C3(C#N)CC3)[C@H]2SC1 ZINC001143188761 1067275256 /nfs/dbraw/zinc/27/52/56/1067275256.db2.gz RYMMCYUKJFHJRH-AMIZOPFISA-N -2 0 464.485 -1.397 20 30 JAEDRL Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CCC#N)[C@H]2SC1 ZINC001143206331 1067275187 /nfs/dbraw/zinc/27/51/87/1067275187.db2.gz IWDZRTJTGDOBFV-YMTOWFKASA-N -2 0 452.474 -1.397 20 30 JAEDRL Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)C(C)(C)C#N)[C@H]2SC1 ZINC001143407452 1067019157 /nfs/dbraw/zinc/01/91/57/1067019157.db2.gz CBMDJPXDCFYMFB-AMIZOPFISA-N -2 0 466.501 -1.151 20 30 JAEDRL Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CCS)[C@H]2SC1 ZINC001143990467 1067120375 /nfs/dbraw/zinc/12/03/75/1067120375.db2.gz QZONHYNUHPPNFG-AMIZOPFISA-N -2 0 459.531 -1.381 20 30 JAEDRL 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