smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(OC)c2c(c1)C(=O)c1cc(C[NH2+]CC[NH3+])cc(OC)c1C2=O ZINC000096932564 209162553 /nfs/dbraw/zinc/16/25/53/209162553.db2.gz BFRGFAHFKYWVPZ-UHFFFAOYSA-N 2 2 370.405 1.536 1 10 FDCFLP