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)cc2oc3cc([O-])c4c(c3c(=O)c2c1CC=C(C)C)OC(C)(C)[C@@H](O)C4 ZINC000014455726 291368780 /nfs/dbraw/zinc/36/87/80/291368780.db2.gz YHXWPTCZEWMDBD-SFHVURJKSA-N -2 1 426.465 3.949 1 5 biogenic,in-vitro IHBFML