smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)c1[O-] ZINC000003192720 570332138 /nfs/dbraw/zinc/33/21/38/570332138.db2.gz DIZPQGJPMFZJMN-SRZZPIQSSA-N -1 2 391.408 5.033 40 30 GKEBLM Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408852942 231121234 /nfs/dbraw/zinc/12/12/34/231121234.db2.gz OOZBFWAQTRABAI-SSDVNMTOSA-N -1 2 384.888 5.485 40 30 GKEBLM Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408938215 231133687 /nfs/dbraw/zinc/13/36/87/231133687.db2.gz HJGGIZYYUCAZBX-SSDVNMTOSA-N -1 2 384.888 5.485 40 30 GKEBLM