smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c([O-])cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C[C@@H](O)C(C)(C)O4 ZINC000013382498 556503847 /nfs/dbraw/zinc/50/38/47/556503847.db2.gz KCMPFWGUVNEDHW-GOSISDBHSA-N -1 1 426.465 3.949 10 5 endogenous,in-man IHBEMM COc1c([O-])cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C[C@H](O)C(C)(C)O4 ZINC000013382497 556503867 /nfs/dbraw/zinc/50/38/67/556503867.db2.gz KCMPFWGUVNEDHW-SFHVURJKSA-N -1 1 426.465 3.949 10 5 endogenous,in-man IHBEMM