smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1cccc(C=Nn2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)c1O ZINC000005669442 570450732 /nfs/dbraw/zinc/45/07/32/570450732.db2.gz CCAYAAZFLHHLOL-OEAKJJBVSA-N -2 1 392.528 5.221 50 30 GKEAML O=[N+]([O-])c1cccc(/C=N\c2ccc([O-])c(-c3nc4ccccc4s3)c2)c1[O-] ZINC000005380031 570566401 /nfs/dbraw/zinc/56/64/01/570566401.db2.gz SMAHWWWUHZBGIN-NHDPSOOVSA-N -2 1 391.408 5.033 50 30 GKEAML