smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc([O-])c2ccc3cccc4ccc1c2c34 ZINC000006094592 170175832 /nfs/dbraw/zinc/17/58/32/170175832.db2.gz BOQCPFGCIYLAGN-UHFFFAOYSA-N -1 1 263.252 4.198 10 5 CIBEMM