smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2CCN2CCOCC2)c(=O)n(-c2ccccc2)n1C ZINC000101477958 562810908 /nfs/dbraw/zinc/81/09/08/562810908.db2.gz ZMJZQFFPLWDCSD-UFTYEHDASA-N 0 2 548.669 2.777 10 30 KFEELN Cc1c(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2CCN2CCOCC2)c(=O)n(-c2ccccc2)n1C ZINC000101477959 562810894 /nfs/dbraw/zinc/81/08/94/562810894.db2.gz ZMJZQFFPLWDCSD-PYPJAORVSA-N 0 2 548.669 2.777 10 30 KFEELN Cc1ccc(S(=O)(=O)NCc2nnc(NC(=O)CSc3nc(-c4ccccc4)c(C#N)c(=O)[nH]3)s2)cc1 ZINC000103552287 555444500 /nfs/dbraw/zinc/44/45/00/555444500.db2.gz PHSFCDAAUJWRJU-UHFFFAOYSA-N 0 2 553.651 2.678 10 30 KFEELN