smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1c(C)cc2cc3c(c([O-])c2c1O)C(=O)C(C)C(=O)C3(C)C ZINC000101164603 219118111 /nfs/dbraw/zinc/11/81/11/219118111.db2.gz QBGFUEPOOHBTEK-UHFFFAOYSA-N -2 1 340.375 4.068 1 30 in-vivo EIEFML