smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(F)c(-n2cc([O-])c(C(=O)[N-]N3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)n2)c1 ZINC001290298125 1062027935 /nfs/dbraw/zinc/02/79/35/1062027935.db2.gz JCPMXZZGAZENHR-QHCPKHFHSA-N -2 0 451.458 2.614 20 0 JFADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)[N-]N3C(=O)N[C@](C)(CCc4ccccc4)C3=O)n2)c1 ZINC001290298123 1062027983 /nfs/dbraw/zinc/02/79/83/1062027983.db2.gz JCPMXZZGAZENHR-HSZRJFAPSA-N -2 0 451.458 2.614 20 0 JFADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)c1 ZINC001295346624 1063287735 /nfs/dbraw/zinc/28/77/35/1063287735.db2.gz AFLXAZLPEGKDKO-UHFFFAOYSA-N -2 0 452.432 2.700 20 0 JFADRL