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-])Cc1cc(=O)oc2cc([O-])c(O)cc12 ZINC000000057799 383822104 /nfs/dbraw/zinc/82/21/04/383822104.db2.gz VZBNZFYHLQRFPS-UHFFFAOYSA-N -2 1 236.179 0.831 50 10 in-vitro BCCAML O=C([O-])c1cc2cc(O)c([O-])cc2oc1=O ZINC000013337194 342866052 /nfs/dbraw/zinc/86/60/52/342866052.db2.gz STCWBNGIVIFZHI-UHFFFAOYSA-N -2 1 222.152 0.902 50 10 BCCAML