smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C=CC(=NNc2ccccc2)C([O-])=C1 ZINC000100048113 183267871 /nfs/dbraw/zinc/26/78/71/183267871.db2.gz BPTKLSBRRJFNHJ-BUHFOSPRSA-N -1 1 214.224 3.513 50 10 BHCAMM