smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)s1 ZINC000494898478 339964068 /nfs/dbraw/zinc/96/40/68/339964068.db2.gz RYSGDPPJOFSVFR-UHFFFAOYSA-N -2 1 322.345 3.503 20 5 DHBDML O=C([O-])c1cccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)c1 ZINC000833325853 600846541 /nfs/dbraw/zinc/84/65/41/600846541.db2.gz ACBFVTUVBZCRRY-UHFFFAOYSA-N -2 1 316.316 3.854 20 5 DHBDML