smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(CC(=O)[O-])c(=O)c2cc3c(C)nn(CC(=O)[O-])c(=O)c3cc12 ZINC000000863716 219332641 /nfs/dbraw/zinc/33/26/41/219332641.db2.gz ZQYBPNRCEYDVOR-UHFFFAOYSA-N -2 0 358.310 -0.108 50 5 FBBARL