smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])c(Br)c3)C2=O)cc1 ZINC000033319981 524393445 /nfs/dbraw/zinc/39/34/45/524393445.db2.gz SCQLAJODUUOJMV-ZSOIEALJSA-N -1 2 475.251 3.428 10 10 JGCELM